data_5aaz_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 5aaz _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 ' 496' ' ' HIS . . . . . 0.442 ' CE1' ' CD1' ' A' ' 508' ' ' ILE . 70.9 m-70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 133.88 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 37.6 t -78.73 122.17 84.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.94 -15.82 12.96 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.557 2.171 . . . . 0.0 112.894 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.68 -34.07 73.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.2 p -136.73 -48.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 119.13 36.84 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.91 134.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.46 111.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.54 110.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.09 -33.22 98.44 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 0.0 113.079 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -142.55 -179.86 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.458 . . . . 0.0 111.812 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.442 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -74.94 -37.73 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.5 -47.09 82.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.2 t -70.42 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.906 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.52 -38.61 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.603 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.81 -48.78 77.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.46 -32.43 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -70.31 -55.51 8.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.34 -30.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.79 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.34 22.39 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 179.841 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.456 ' CE1' ' CD1' ' A' ' 508' ' ' ILE . 83.3 m-70 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.813 0.339 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.2 p -134.47 138.69 44.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.74 121.32 83.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.72 -14.92 15.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.596 2.197 . . . . 0.0 113.054 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -69.7 -44.86 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.235 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.1 p -123.16 -41.83 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 114.08 29.27 2.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.51 134.61 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.27 118.23 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 5.6 mt -109.95 104.5 55.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 510' ' ' THR . 91.4 Cg_exo -44.05 -39.69 11.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.837 2.358 . . . . 0.0 113.275 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -148.93 -177.05 5.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 111.767 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -69.08 -34.62 64.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.085 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.28 -50.53 72.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.551 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 506' ' ' PRO . 2.3 t -70.44 -32.58 70.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 110.232 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.415 ' N ' HG21 ' A' ' 510' ' ' THR . 3.4 tp -70.2 -37.86 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.74 -45.6 81.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.51 -30.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.22 -55.32 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 26.9 t -59.24 -29.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.4 mmm -68.88 -29.77 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.34 22.26 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.297 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.967 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 54.1 p -134.74 135.54 41.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 41.0 t -78.62 117.88 69.06 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.68 -15.05 17.37 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.598 2.198 . . . . 0.0 112.999 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -39.41 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.155 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.14 -48.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.02 37.67 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 134.81 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.36 118.41 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.83 139.94 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.75 -33.38 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.562 2.175 . . . . 0.0 112.977 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -154.66 174.01 15.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.619 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.3 OUTLIER -64.33 -43.08 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 1.2 t0 -57.58 -45.95 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.966 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.8 p -70.57 -33.81 71.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -37.85 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.718 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.84 -40.62 89.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.9 -31.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -70.26 -55.42 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.43 -34.83 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.24 -31.94 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -23.1 14.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 496' ' ' HIS . 2.0 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 52.3 p -129.76 136.64 49.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 36.9 t -78.63 111.21 17.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.32 -16.83 49.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.682 2.255 . . . . 0.0 112.877 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.74 -53.39 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -113.9 -40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.25 26.5 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.64 134.47 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.13 126.65 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.12 143.27 28.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.16 -47.14 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.468 2.112 . . . . 0.0 112.674 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -141.82 167.36 22.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 111.515 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 1.1 tt -60.61 -42.83 93.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.6 OUTLIER -57.67 -46.12 84.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.901 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.42 -34.9 73.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.116 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.23 -37.86 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.7 -34.5 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.71 -41.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.87 -55.32 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.3 -29.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -35.07 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.81 22.27 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.949 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.854 0.359 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 43.5 p -134.57 142.36 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.72 110.89 15.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.521 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.14 -18.51 18.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.478 2.119 . . . . 0.0 112.827 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -41.99 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.342 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.64 -39.97 3.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 107.8 33.76 2.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -97.27 134.47 40.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.59 128.17 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.3 mt -116.24 122.11 32.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . 0.4 ' HG2' HG23 ' A' ' 510' ' ' THR . 12.3 Cg_endo -56.59 -42.14 68.49 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.575 2.183 . . . . 0.0 112.974 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -143.8 173.07 12.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.082 0.468 . . . . 0.0 111.795 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -32.26 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.77 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -57.56 -50.61 72.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 511' ' ' LEU . 1.6 t -70.45 -32.62 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.13 0.49 . . . . 0.0 110.269 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.455 ' N ' HG21 ' A' ' 510' ' ' THR . 3.4 tp -70.74 -37.84 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.818 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.98 -52.17 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.25 -30.83 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.758 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.1 -51.15 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 24.1 t -66.55 -30.71 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -32.15 56.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.23 -20.28 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 111.216 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.403 ' O ' ' HD3' ' A' ' 499' ' ' PRO . 53.0 p -134.56 138.31 44.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.52 109.74 11.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 497' ' ' SER . 10.7 Cg_exo -71.74 -17.5 29.32 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.606 2.204 . . . . 0.0 112.669 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.411 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 21.1 p -127.13 -42.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 111.246 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.4 39.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.372 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.67 134.64 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.47 110.25 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.55 132.15 37.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -51.17 -49.54 16.77 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.682 2.255 . . . . 0.0 112.868 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.43 177.8 9.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.567 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.6 OUTLIER -64.11 -44.03 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.378 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 12.7 m-20 -57.77 -48.76 78.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.944 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.52 -32.74 70.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.131 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.83 -37.97 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -58.17 -39.96 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.71 -31.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.34 -55.41 9.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.94 -29.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 25.4 ttt -55.7 -32.41 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.69 -23.08 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.371 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.269 -179.752 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 80.7 p -134.44 132.59 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.69 112.39 26.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.73 -17.65 60.17 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.719 2.28 . . . . 0.0 113.091 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -54.33 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.6 p -116.69 -42.05 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.95 27.08 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 134.6 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.817 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 113.42 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.15 141.56 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.81 -42.6 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.91 166.55 24.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 111.426 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.9 OUTLIER -59.65 -41.95 86.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 5.0 m-20 -57.87 -45.94 85.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.982 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.44 -34.34 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.36 -37.82 74.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -62.56 -36.83 83.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 16.5 mt -70.78 -34.16 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.23 -54.13 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 38.7 t -53.41 -46.76 58.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.441 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 18.6 ptm -60.65 -33.03 72.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.0 9.74 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.321 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.3 p -134.64 141.2 46.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.74 117.71 68.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.18 -15.24 18.34 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.542 2.162 . . . . 0.0 113.111 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -38.91 77.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -132.07 -49.77 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 121.65 67.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.32 134.8 54.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 0.0 110.58 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.18 123.71 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 511' ' ' LEU . 5.1 mt -124.44 104.64 31.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.19 -38.55 33.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.837 2.358 . . . . 0.0 113.283 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -140.44 -179.11 5.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.171 0.51 . . . . 0.0 111.799 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -36.66 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -47.78 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.4 t -70.31 -32.74 70.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 110.011 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 505' ' ' LEU . 1.5 tp -70.78 -37.83 73.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.779 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.13 -45.3 92.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.34 -33.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.32 -55.5 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.65 -29.5 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -31.57 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.37 18.88 16.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.252 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.821 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.944 0.402 . . . . 0.0 110.677 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.45 141.66 46.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 122.4 76.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.23 -18.38 14.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.978 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -69.77 -34.97 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.178 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.38 -51.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.3 36.48 0.8 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -86.41 134.82 33.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.08 132.27 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 3.6 mt -121.18 158.48 52.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.56 -37.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.815 2.344 . . . . 0.0 113.143 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.451 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.0 p-10 -152.03 179.21 8.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.56 -41.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.983 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.94 -45.25 86.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.0 p -70.41 -34.92 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.909 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.92 -37.84 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.606 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.58 -45.65 89.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.46 -33.55 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.28 -55.24 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.81 -29.77 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.2 tpt -71.43 -31.85 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.92 14.67 22.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 508' ' ' ILE . 33.0 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.64 144.27 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.724 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . 0.416 ' HB2' ' CD2' ' A' ' 514' ' ' HIS . 50.5 t -78.78 125.47 84.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.92 -16.42 8.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.72 2.28 . . . . 0.0 113.042 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -51.29 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.186 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.83 -43.11 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.93 29.57 2.36 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.589 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 132.91 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.33 120.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 510' ' ' THR . 4.0 mm? -116.57 111.47 41.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.27 -47.6 10.56 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.683 2.255 . . . . 0.0 113.084 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 510' ' ' THR . 16.6 p-10 -132.67 -176.05 3.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.093 0.473 . . . . 0.0 111.707 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.415 ' N ' ' CD2' ' A' ' 496' ' ' HIS . 2.6 tt -80.65 -34.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.395 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.13 -46.69 82.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.562 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' THR . . . . . 0.441 HG21 ' CD1' ' A' ' 505' ' ' LEU . 15.0 t -68.06 -33.18 74.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.133 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -48.2 71.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.831 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.82 -36.97 49.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.16 0.505 . . . . 0.0 109.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.4 mt -72.18 -29.57 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.615 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 498' ' ' CYS . 70.6 t60 -70.68 -55.45 8.69 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.891 0.377 . . . . 0.0 111.159 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.5 -29.58 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.358 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 39.7 ttp -68.52 -26.51 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.209 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.94 -23.15 12.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.32 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 508' ' ' ILE . 45.6 m-70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.3 p -134.49 144.24 47.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.71 123.1 85.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.84 -15.31 13.41 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.613 2.209 . . . . 0.0 113.179 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -69.8 -52.84 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.228 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.8 -37.3 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.28 20.72 4.67 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.651 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 134.61 49.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.7 t -81.02 120.66 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 505' ' ' LEU . 3.1 mm? -110.24 139.92 21.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.32 -41.71 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.522 2.148 . . . . 0.0 112.842 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -141.83 171.36 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 111.446 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.452 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 29.9 mm -63.98 -36.93 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.94 -47.45 86.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.241 0.544 . . . . 0.0 109.732 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.8 p -70.42 -35.45 73.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.178 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.415 ' HA ' ' HG ' ' A' ' 505' ' ' LEU . 5.5 tp -70.68 -37.83 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -62.38 -39.61 93.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.17 -40.23 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.38 -55.41 21.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 23.5 t -58.01 -29.61 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -34.47 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.77 22.31 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 8.3 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.6 p -134.64 125.21 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.52 112.79 29.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.383 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.58 -19.97 62.41 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.724 2.283 . . . . 0.0 113.056 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -69.75 -54.51 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.706 0.288 . . . . 0.0 111.294 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.17 -45.04 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.98 26.83 3.95 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.76 134.79 37.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.44 106.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.82 162.67 43.75 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.55 -52.29 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.841 2.361 . . . . 0.0 112.44 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -147.26 175.4 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.4 -34.09 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.32 -50.95 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 109.831 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.7 p -70.6 -33.23 70.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.169 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.92 -37.84 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.619 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -39.3 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.38 -36.29 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.77 -52.11 58.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.3 -30.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -57.56 -32.86 67.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.07 -23.01 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.008 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 506' ' ' PRO . 9.6 m80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.872 0.368 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.4 p -134.75 121.28 20.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.64 122.33 84.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.25 -16.79 22.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.158 . . . . 0.0 113.025 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -69.81 -54.11 15.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -114.5 -45.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.141 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.48 12.71 7.9 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.769 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 134.64 47.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.56 108.56 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.405 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 2.7 mm? -85.61 164.65 39.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 510' ' ' THR . 71.8 Cg_endo -81.88 -48.29 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.458 2.106 . . . . 0.0 112.762 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -140.82 166.06 25.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 3.3 tp -59.88 -42.46 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.7 OUTLIER -57.7 -45.82 85.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.957 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 506' ' ' PRO . 2.9 p -70.52 -34.54 72.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.024 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.405 ' HA ' ' HG ' ' A' ' 505' ' ' LEU . 2.1 tp -69.91 -37.77 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.745 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.11 -45.98 91.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.5 mm -68.96 -38.12 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -61.94 -55.36 30.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.773 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.61 -32.89 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.5 ttp -69.85 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 20.8 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.84 0.352 . . . . 0.0 110.734 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.2 p -134.46 130.04 36.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.0 t -78.83 111.58 20.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.12 -18.99 57.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.66 2.24 . . . . 0.0 112.824 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -50.04 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.0 p -115.99 -47.57 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.74 28.19 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.02 134.53 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 29.3 t -74.44 108.97 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -99.72 148.23 34.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.013 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . 0.4 ' O ' ' CE1' ' A' ' 496' ' ' HIS . 97.2 Cg_endo -86.38 -38.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.871 2.381 . . . . 0.0 113.042 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -137.74 164.47 28.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.044 0.449 . . . . 0.0 111.549 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.53 -20.36 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.122 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -51.02 62.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.845 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.42 -37.84 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.66 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -65.24 -49.4 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.06 -31.91 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.9 -55.32 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.768 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 26.0 t -57.38 -30.74 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.66 11.67 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.314 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.42 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 12.2 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.871 0.367 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.5 135.27 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.57 119.45 77.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -15.78 19.45 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.623 2.215 . . . . 0.0 112.996 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.8 -41.03 75.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 111.021 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.5 p -127.42 -44.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.41 33.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.15 134.48 33.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.57 122.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.0 127.02 28.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.51 -45.31 41.96 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.586 2.19 . . . . 0.0 112.879 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.42 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.5 p-10 -151.86 -179.76 7.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.989 0.423 . . . . 0.0 111.687 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.4 OUTLIER -65.77 -43.14 93.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.2 OUTLIER -57.79 -47.95 81.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.907 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.48 -32.82 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.204 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.1 -38.02 75.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.73 -36.19 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 14.6 mt -71.77 -32.11 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -70.16 -55.27 9.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.71 -29.52 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.09 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.065 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -23.11 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.295 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -179.894 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 79.5 m-70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.67 133.72 49.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.7 121.13 83.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.739 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.22 -15.97 17.84 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -38.32 76.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.23 -45.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.6 31.7 1.91 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.8 134.69 34.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.3 t -74.22 120.01 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.22 139.67 20.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.408 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.88 -52.06 4.94 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.604 2.202 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 12.9 p-10 -157.28 -176.58 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.1 OUTLIER -58.41 -43.43 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 29.8 m-20 -57.93 -51.28 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.485 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 7.3 p -70.75 -32.81 70.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.273 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 7.8 tp -68.17 -37.9 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -38.18 90.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.85 -34.49 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.342 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -70.35 -55.42 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.85 -29.53 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.418 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -46.26 73.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.372 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -89.48 -23.1 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.505 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.067 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 15.1 m80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -136.01 144.27 45.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 40.9 t -89.88 128.5 49.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.254 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.0 -20.56 11.51 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.454 2.103 . . . . 0.0 112.974 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -52.48 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.567 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.63 -47.15 3.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.27 26.03 4.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.387 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 135.06 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.0 t -73.88 104.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 1.2 mt -86.88 146.72 41.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.185 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . 0.483 ' HG2' HG23 ' A' ' 510' ' ' THR . 49.1 Cg_endo -69.54 -41.56 4.44 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.424 2.083 . . . . 0.0 113.337 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -140.97 173.37 11.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 112.112 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.422 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 28.0 mm -72.41 -35.8 52.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.998 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.78 -47.6 82.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' THR . . . . . 0.488 HG21 ' N ' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -70.5 -32.89 70.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 179.072 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 510' ' ' THR . 2.9 tp -69.56 -40.0 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.8 mt -71.79 -33.53 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.797 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.69 -55.38 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.403 ' CG2' ' CD1' ' A' ' 511' ' ' LEU . 21.9 t -56.06 -35.85 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.7 tpp -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 22.04 15.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.876 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.401 ' NE2' HG11 ' A' ' 508' ' ' ILE . 43.0 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.899 0.381 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 34.0 p -134.58 144.59 48.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 40.0 t -78.46 110.33 13.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.737 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -13.3 37.2 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.511 2.14 . . . . 0.0 112.837 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -69.58 -54.71 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 111.017 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 25.9 p -110.26 -41.24 4.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.73 37.43 1.41 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.29 134.86 37.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 30.7 t -74.2 115.55 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 511' ' ' LEU . 4.3 mt -103.44 116.44 62.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.427 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -44.06 -48.59 9.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.848 2.366 . . . . 0.0 113.408 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.05 -177.65 5.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.755 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.401 HG11 ' NE2' ' A' ' 496' ' ' HIS . 4.1 mp -69.79 -29.67 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.051 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.0 -51.22 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 511' ' ' LEU . 2.5 t -70.82 -32.82 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.366 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.417 ' N ' HG21 ' A' ' 510' ' ' THR . 6.7 tp -70.97 -39.19 72.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.989 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -61.34 -52.08 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.86 -29.06 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -70.26 -55.48 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.71 -29.65 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 ttt -54.39 -31.91 55.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.86 -17.34 11.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 111.269 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 39.3 m -134.54 144.23 47.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.49 108.67 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.99 -13.35 39.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.657 2.238 . . . . 0.0 112.749 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -69.76 -54.32 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.082 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.5 -36.06 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 103.39 41.15 2.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.603 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.46 132.76 36.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.57 121.26 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 0.9 OUTLIER -111.02 150.81 42.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.751 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 505' ' ' LEU . 1.9 Cg_endo -82.76 -37.6 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.934 2.423 . . . . 0.0 113.012 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.423 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.9 p30 -139.85 169.93 16.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.048 0.451 . . . . 0.0 111.692 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 4.1 mp -73.13 -21.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.4 -51.18 62.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.981 0.419 . . . . 0.0 110.139 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -35.97 73.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.832 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 508' ' ' ILE . 4.9 tp -65.32 -39.66 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.624 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -66.16 -48.32 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.15 -30.92 50.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -66.7 -55.23 16.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 25.8 t -57.58 -31.31 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -31.72 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -111.6 18.28 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' HIS . . . . . 0.585 ' O ' ' HB2' ' A' ' 505' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.228 -0.072 0 CA-C-O 120.865 0.364 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 35.9 p -78.64 144.94 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.2 112.13 23.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.981 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.49 -15.84 46.08 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.823 2.348 . . . . 0.0 113.283 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -69.7 -46.42 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.64 0.257 . . . . 0.0 111.286 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.4 -42.29 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.88 50.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.585 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.45 127.63 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.768 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.04 116.95 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.295 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 496' ' ' HIS . 4.0 mm? -112.38 130.75 23.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' PRO . . . . . 0.45 ' HD2' HD11 ' A' ' 505' ' ' LEU . 12.0 Cg_endo -55.15 -49.09 17.6 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.6 2.2 . . . . 0.0 113.027 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 510' ' ' THR . 1.2 p30 -130.01 -176.04 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.041 0.448 . . . . 0.0 111.89 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.78 -36.86 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.38 -43.27 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.016 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' THR . . . . . 0.434 HG21 ' CD1' ' A' ' 505' ' ' LEU . 14.6 t -70.32 -34.61 72.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.41 ' N ' HG21 ' A' ' 510' ' ' THR . 0.2 OUTLIER -70.18 -38.56 75.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.822 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.44 -46.26 89.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.9 -32.99 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.41 -55.5 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.75 -29.56 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -106.51 15.23 26.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.281 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.777 0.322 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -129.21 114.39 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.11 -177.96 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.5 80.22 16.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.38 148.59 41.48 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 16.1 tt -130.04 131.25 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.442 ' CE1' ' CD1' ' A' ' 508' ' ' ILE . 70.9 m-70 -79.22 140.88 37.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 133.88 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 37.6 t -78.73 122.17 84.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.94 -15.82 12.96 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.557 2.171 . . . . 0.0 112.894 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.68 -34.07 73.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.2 p -136.73 -48.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 119.13 36.84 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.91 134.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.46 111.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.54 110.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.09 -33.22 98.44 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 0.0 113.079 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -142.55 -179.86 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.458 . . . . 0.0 111.812 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.442 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -74.94 -37.73 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.5 -47.09 82.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.2 t -70.42 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.906 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.52 -38.61 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.603 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.81 -48.78 77.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.46 -32.43 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -70.31 -55.51 8.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.34 -30.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.79 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.34 22.39 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.04 157.94 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 18.7 tt -68.91 116.99 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.121 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 59.94 165.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -62.1 171.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . 0.408 ' O ' ' CG2' ' A' ' 493' ' ' ILE . 0.9 OUTLIER -112.61 93.46 23.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.21 135.6 65.33 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.475 2.117 . . . . 0.0 112.25 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 tt -130.45 147.78 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.456 ' CE1' ' CD1' ' A' ' 508' ' ' ILE . 83.3 m-70 -119.04 146.38 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.2 p -134.47 138.69 44.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.74 121.32 83.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.72 -14.92 15.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.596 2.197 . . . . 0.0 113.054 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -69.7 -44.86 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.235 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.1 p -123.16 -41.83 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 114.08 29.27 2.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.51 134.61 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.27 118.23 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 5.6 mt -109.95 104.5 55.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 510' ' ' THR . 91.4 Cg_exo -44.05 -39.69 11.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.837 2.358 . . . . 0.0 113.275 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -148.93 -177.05 5.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 111.767 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -69.08 -34.62 64.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.085 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.28 -50.53 72.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.551 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 506' ' ' PRO . 2.3 t -70.44 -32.58 70.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 110.232 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.415 ' N ' HG21 ' A' ' 510' ' ' THR . 3.4 tp -70.2 -37.86 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.74 -45.6 81.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.51 -30.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.22 -55.32 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 26.9 t -59.24 -29.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.4 mmm -68.88 -29.77 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.34 22.26 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.297 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 47.9 t -99.11 156.72 16.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 5.1 tp -70.41 138.52 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.041 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.754 0.312 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.03 166.76 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -156.93 -44.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.06 111.67 42.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.87 163.55 21.74 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.526 2.151 . . . . 0.0 112.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.1 mm -108.52 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 54.1 p -134.74 135.54 41.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 41.0 t -78.62 117.88 69.06 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.68 -15.05 17.37 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.598 2.198 . . . . 0.0 112.999 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -39.41 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.155 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.14 -48.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.02 37.67 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 134.81 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.36 118.41 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.83 139.94 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.75 -33.38 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.562 2.175 . . . . 0.0 112.977 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -154.66 174.01 15.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.619 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.3 OUTLIER -64.33 -43.08 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 1.2 t0 -57.58 -45.95 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.966 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.8 p -70.57 -33.81 71.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -37.85 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.718 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.84 -40.62 89.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.9 -31.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -70.26 -55.42 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.43 -34.83 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.24 -31.94 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -23.1 14.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.21 158.81 30.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.1 tt -72.12 114.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.208 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.874 0.369 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.02 177.84 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.74 -168.47 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.83 146.06 39.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.48 151.5 53.36 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.588 2.192 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 1.6 mp -125.66 144.68 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.025 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 496' ' ' HIS . 2.0 m-70 -102.23 147.72 26.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 52.3 p -129.76 136.64 49.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 36.9 t -78.63 111.21 17.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.32 -16.83 49.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.682 2.255 . . . . 0.0 112.877 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.74 -53.39 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -113.9 -40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.25 26.5 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.64 134.47 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.13 126.65 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.12 143.27 28.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.16 -47.14 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.468 2.112 . . . . 0.0 112.674 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -141.82 167.36 22.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 111.515 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 1.1 tt -60.61 -42.83 93.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.6 OUTLIER -57.67 -46.12 84.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.901 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.42 -34.9 73.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.116 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.23 -37.86 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.7 -34.5 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.71 -41.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.87 -55.32 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.3 -29.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -35.07 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.81 22.27 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 35.9 t -99.14 158.5 15.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 6.9 tp -67.57 119.67 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.164 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.37 40.02 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -74.07 -177.7 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 10.0 pt -83.27 152.35 64.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.24 136.55 31.99 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.62 2.213 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.4 126.84 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -96.69 147.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 43.5 p -134.57 142.36 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.72 110.89 15.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.521 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.14 -18.51 18.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.478 2.119 . . . . 0.0 112.827 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 519' ' ' ILE . 0.0 OUTLIER -69.73 -41.99 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.342 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.64 -39.97 3.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 107.8 33.76 2.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -97.27 134.47 40.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.59 128.17 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.3 mt -116.24 122.11 32.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . 0.4 ' HG2' HG23 ' A' ' 510' ' ' THR . 12.3 Cg_endo -56.59 -42.14 68.49 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.575 2.183 . . . . 0.0 112.974 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -143.8 173.07 12.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.082 0.468 . . . . 0.0 111.795 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -32.26 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.77 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -57.56 -50.61 72.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 511' ' ' LEU . 1.6 t -70.45 -32.62 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.13 0.49 . . . . 0.0 110.269 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.455 ' N ' HG21 ' A' ' 510' ' ' THR . 3.4 tp -70.74 -37.84 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.818 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.98 -52.17 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.25 -30.83 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.758 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.1 -51.15 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 24.1 t -66.55 -30.71 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -32.15 56.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.23 -20.28 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 2.1 t -99.02 119.73 38.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.423 ' HA ' ' HG2' ' A' ' 500' ' ' LYS . 2.3 mt -152.7 150.99 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.332 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.801 0.334 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -96.75 -173.23 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -58.83 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.87 85.48 7.8 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.01 147.14 67.02 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.607 2.205 . . . . 0.0 112.374 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.58 125.23 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -88.68 144.67 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.403 ' O ' ' HD3' ' A' ' 499' ' ' PRO . 53.0 p -134.56 138.31 44.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.52 109.74 11.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 497' ' ' SER . 10.7 Cg_exo -71.74 -17.5 29.32 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.606 2.204 . . . . 0.0 112.669 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.411 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 21.1 p -127.13 -42.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 111.246 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.4 39.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.372 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.67 134.64 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.47 110.25 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.55 132.15 37.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -51.17 -49.54 16.77 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.682 2.255 . . . . 0.0 112.868 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.43 177.8 9.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.567 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.6 OUTLIER -64.11 -44.03 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.378 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 12.7 m-20 -57.77 -48.76 78.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.944 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.52 -32.74 70.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.131 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.83 -37.97 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -58.17 -39.96 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.71 -31.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.34 -55.41 9.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.94 -29.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 25.4 ttt -55.7 -32.41 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.69 -23.08 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.371 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.16 119.83 26.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.269 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.9 mt -152.52 111.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.351 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.824 0.345 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -123.87 140.75 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 65.21 -72.41 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.29 102.42 53.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 151.8 27.4 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.474 2.116 . . . . 0.0 112.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 8.6 tt -132.77 135.08 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.244 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -100.27 146.01 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 80.7 p -134.44 132.59 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.69 112.39 26.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.73 -17.65 60.17 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.719 2.28 . . . . 0.0 113.091 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -54.33 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.6 p -116.69 -42.05 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.95 27.08 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 134.6 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.817 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 113.42 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.15 141.56 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.81 -42.6 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.91 166.55 24.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 111.426 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.9 OUTLIER -59.65 -41.95 86.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 5.0 m-20 -57.87 -45.94 85.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.982 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.44 -34.34 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.36 -37.82 74.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -62.56 -36.83 83.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 16.5 mt -70.78 -34.16 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.23 -54.13 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 38.7 t -53.41 -46.76 58.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.441 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 18.6 ptm -60.65 -33.03 72.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.0 9.74 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.321 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.7 t -99.24 158.02 15.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.53 113.38 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.124 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.785 0.326 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -141.7 174.29 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.69 42.09 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.94 101.44 51.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.41 155.93 68.3 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.345 2.03 . . . . 0.0 112.153 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.33 131.28 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -135.56 140.12 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.595 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.3 p -134.64 141.2 46.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.74 117.71 68.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.18 -15.24 18.34 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.542 2.162 . . . . 0.0 113.111 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -38.91 77.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -132.07 -49.77 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 121.65 67.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.32 134.8 54.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 0.0 110.58 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.18 123.71 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 511' ' ' LEU . 5.1 mt -124.44 104.64 31.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -48.19 -38.55 33.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.837 2.358 . . . . 0.0 113.283 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -140.44 -179.11 5.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.171 0.51 . . . . 0.0 111.799 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -36.66 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.714 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -47.78 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.4 t -70.31 -32.74 70.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 110.011 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 505' ' ' LEU . 1.5 tp -70.78 -37.83 73.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.779 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.13 -45.3 92.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.34 -33.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.32 -55.5 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.65 -29.5 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -31.57 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.37 18.88 16.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.252 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 49.7 t -99.18 156.9 16.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.87 111.16 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.277 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -158.1 122.71 4.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.69 133.71 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.7 pp -130.5 153.66 81.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.82 163.48 30.55 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.591 2.194 . . . . 0.0 112.191 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.2 mp -109.55 146.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 0.9 OUTLIER -145.55 77.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.677 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.45 141.66 46.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 122.4 76.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.23 -18.38 14.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.978 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -69.77 -34.97 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.178 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.38 -51.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.3 36.48 0.8 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -86.41 134.82 33.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.08 132.27 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 3.6 mt -121.18 158.48 52.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.56 -37.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.815 2.344 . . . . 0.0 113.143 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.451 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.0 p-10 -152.03 179.21 8.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 31.0 mm -69.56 -41.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.983 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.94 -45.25 86.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.0 p -70.41 -34.92 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.909 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.92 -37.84 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.606 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.58 -45.65 89.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.46 -33.55 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.28 -55.24 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.81 -29.77 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.2 tpt -71.43 -31.85 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.92 14.67 22.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 48.7 t -99.24 156.81 16.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.9 tt -70.99 128.18 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 29.1 mm . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.039 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.816 0.341 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.81 133.01 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -61.31 140.62 57.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.53 80.22 70.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.54 151.56 30.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.505 2.137 . . . . 0.0 112.298 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 31.4 mt -73.33 157.88 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 508' ' ' ILE . 33.0 m-70 -88.63 129.86 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.64 144.27 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.724 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . 0.416 ' HB2' ' CD2' ' A' ' 514' ' ' HIS . 50.5 t -78.78 125.47 84.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.92 -16.42 8.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.72 2.28 . . . . 0.0 113.042 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -51.29 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.186 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.83 -43.11 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.93 29.57 2.36 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.589 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 132.91 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.33 120.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 510' ' ' THR . 4.0 mm? -116.57 111.47 41.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.27 -47.6 10.56 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.683 2.255 . . . . 0.0 113.084 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 510' ' ' THR . 16.6 p-10 -132.67 -176.05 3.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.093 0.473 . . . . 0.0 111.707 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.415 ' N ' ' CD2' ' A' ' 496' ' ' HIS . 2.6 tt -80.65 -34.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.395 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.13 -46.69 82.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.562 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.441 HG21 ' CD1' ' A' ' 505' ' ' LEU . 15.0 t -68.06 -33.18 74.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.133 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.25 -48.2 71.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.831 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.82 -36.97 49.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.16 0.505 . . . . 0.0 109.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.4 mt -72.18 -29.57 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.615 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 498' ' ' CYS . 70.6 t60 -70.68 -55.45 8.69 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.891 0.377 . . . . 0.0 111.159 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.5 -29.58 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.358 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 39.7 ttp -68.52 -26.51 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.209 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.94 -23.15 12.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.32 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 151.03 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.3 tp -67.7 143.33 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.43 HD11 HG23 ' A' ' 520' ' ' ILE . 32.3 mt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -147.2 97.81 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.99 103.84 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.5 pt -130.89 105.68 15.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.69 143.06 60.51 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.457 2.105 . . . . 0.0 112.196 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.01 144.21 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 508' ' ' ILE . 45.6 m-70 -114.05 145.34 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.3 p -134.49 144.24 47.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.71 123.1 85.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.84 -15.31 13.41 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.613 2.209 . . . . 0.0 113.179 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -69.8 -52.84 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.228 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.8 -37.3 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.28 20.72 4.67 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.651 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 134.61 49.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.7 t -81.02 120.66 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 505' ' ' LEU . 3.1 mm? -110.24 139.92 21.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.32 -41.71 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.522 2.148 . . . . 0.0 112.842 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -141.83 171.36 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 111.446 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.452 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 29.9 mm -63.98 -36.93 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.94 -47.45 86.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.241 0.544 . . . . 0.0 109.732 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.8 p -70.42 -35.45 73.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.178 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.415 ' HA ' ' HG ' ' A' ' 505' ' ' LEU . 5.5 tp -70.68 -37.83 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -62.38 -39.61 93.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.17 -40.23 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.38 -55.41 21.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 23.5 t -58.01 -29.61 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -34.47 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.77 22.31 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 53.7 t -92.2 156.32 17.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.8 tp -70.95 105.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 10.1 pt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.124 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.834 0.35 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -108.23 90.17 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -95.89 170.82 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 43.9 pt -106.74 148.32 36.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.94 149.84 53.97 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.547 2.165 . . . . 0.0 112.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.2 mp -108.92 157.65 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 8.3 m80 -145.53 76.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.6 p -134.64 125.21 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.52 112.79 29.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.383 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.58 -19.97 62.41 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.724 2.283 . . . . 0.0 113.056 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -69.75 -54.51 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.706 0.288 . . . . 0.0 111.294 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.17 -45.04 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.98 26.83 3.95 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.76 134.79 37.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.44 106.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.82 162.67 43.75 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.083 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -74.55 -52.29 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.841 2.361 . . . . 0.0 112.44 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -147.26 175.4 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.4 -34.09 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.32 -50.95 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 109.831 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.7 p -70.6 -33.23 70.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.169 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 8.6 tp -70.92 -37.84 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.619 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -39.3 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.38 -36.29 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.77 -52.11 58.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.3 -30.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -57.56 -32.86 67.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.07 -23.01 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.24 139.84 30.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.1 mt -152.29 150.96 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.166 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.782 0.325 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 144.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -110.14 -31.08 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.7 mp -118.2 94.62 47.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.71 139.93 49.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.271 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.9 mm -116.5 141.98 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 506' ' ' PRO . 9.6 m80 -134.25 76.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.4 p -134.75 121.28 20.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.64 122.33 84.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.25 -16.79 22.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.158 . . . . 0.0 113.025 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -69.81 -54.11 15.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -114.5 -45.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.141 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.48 12.71 7.9 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.769 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 134.64 47.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.56 108.56 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.405 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 2.7 mm? -85.61 164.65 39.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 510' ' ' THR . 71.8 Cg_endo -81.88 -48.29 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.458 2.106 . . . . 0.0 112.762 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -140.82 166.06 25.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 3.3 tp -59.88 -42.46 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.7 OUTLIER -57.7 -45.82 85.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.957 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 506' ' ' PRO . 2.9 p -70.52 -34.54 72.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.024 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.405 ' HA ' ' HG ' ' A' ' 505' ' ' LEU . 2.1 tp -69.91 -37.77 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.745 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.11 -45.98 91.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.5 mm -68.96 -38.12 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -61.94 -55.36 30.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.773 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.61 -32.89 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.5 ttp -69.85 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 20.8 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.1 t -99.15 158.84 15.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.11 129.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 32.9 mm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.11 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -147.35 136.57 22.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -111.76 86.74 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.9 pt -129.62 100.81 19.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.81 162.0 41.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.404 2.07 . . . . 0.0 112.376 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 21.8 mm -78.59 159.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 0.0 OUTLIER -136.51 81.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.734 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.2 p -134.46 130.04 36.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.0 t -78.83 111.58 20.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.12 -18.99 57.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.66 2.24 . . . . 0.0 112.824 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -50.04 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.0 p -115.99 -47.57 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.74 28.19 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.02 134.53 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 29.3 t -74.44 108.97 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -99.72 148.23 34.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.013 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . 0.4 ' O ' ' CE1' ' A' ' 496' ' ' HIS . 97.2 Cg_endo -86.38 -38.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.871 2.381 . . . . 0.0 113.042 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -137.74 164.47 28.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.044 0.449 . . . . 0.0 111.549 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.53 -20.36 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.122 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -51.02 62.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.845 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.42 -37.84 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.66 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -65.24 -49.4 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.06 -31.91 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.9 -55.32 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.768 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 26.0 t -57.38 -30.74 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.66 11.67 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.314 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 t -99.17 157.99 15.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.1 tp -70.31 112.66 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.123 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.883 0.373 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -110.9 100.21 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -60.92 -178.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.92 104.27 55.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.32 164.34 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.41 2.073 . . . . 0.0 112.172 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.74 101.68 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.42 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 12.2 m-70 -79.61 136.31 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.5 135.27 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.57 119.45 77.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -15.78 19.45 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.623 2.215 . . . . 0.0 112.996 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.8 -41.03 75.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 111.021 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.5 p -127.42 -44.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.41 33.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.15 134.48 33.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.57 122.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.0 127.02 28.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.51 -45.31 41.96 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.586 2.19 . . . . 0.0 112.879 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.42 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.5 p-10 -151.86 -179.76 7.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.989 0.423 . . . . 0.0 111.687 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.4 OUTLIER -65.77 -43.14 93.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.2 OUTLIER -57.79 -47.95 81.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.907 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.48 -32.82 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.204 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.1 -38.02 75.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.782 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.73 -36.19 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 14.6 mt -71.77 -32.11 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -70.16 -55.27 9.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.71 -29.52 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.09 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.065 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -23.11 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.295 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.13 158.85 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.49 126.95 36.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.165 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.834 0.35 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 118.69 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -117.36 -37.55 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.46 81.37 24.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.48 168.01 19.2 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.529 2.153 . . . . 0.0 112.002 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.44 145.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 79.5 m-70 -135.97 127.5 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.569 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.67 133.72 49.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.7 121.13 83.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.739 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.22 -15.97 17.84 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -38.32 76.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.23 -45.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.6 31.7 1.91 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.8 134.69 34.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.3 t -74.22 120.01 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.22 139.67 20.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.408 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.88 -52.06 4.94 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.604 2.202 . . . . 0.0 112.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 12.9 p-10 -157.28 -176.58 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.1 OUTLIER -58.41 -43.43 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 29.8 m-20 -57.93 -51.28 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.485 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 7.3 p -70.75 -32.81 70.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.273 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 7.8 tp -68.17 -37.9 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -38.18 90.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.85 -34.49 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.342 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -70.35 -55.42 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 23.4 t -56.85 -29.53 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.418 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -46.26 73.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.372 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -89.48 -23.1 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.505 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.27 157.66 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.067 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.79 135.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.11 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.916 0.389 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 143.75 10.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -90.17 83.79 6.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.7 pt -117.14 122.02 31.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.32 153.47 22.1 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.94 150.92 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 15.1 m80 -138.64 76.12 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.026 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -136.01 144.27 45.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 40.9 t -89.88 128.5 49.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.254 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.0 -20.56 11.51 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.454 2.103 . . . . 0.0 112.974 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -52.48 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.567 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.63 -47.15 3.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.27 26.03 4.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.387 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 135.06 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.0 t -73.88 104.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 1.2 mt -86.88 146.72 41.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.185 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . 0.483 ' HG2' HG23 ' A' ' 510' ' ' THR . 49.1 Cg_endo -69.54 -41.56 4.44 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.424 2.083 . . . . 0.0 113.337 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -140.97 173.37 11.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 112.112 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.422 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 28.0 mm -72.41 -35.8 52.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.998 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.78 -47.6 82.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.488 HG21 ' N ' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -70.5 -32.89 70.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 179.072 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 510' ' ' THR . 2.9 tp -69.56 -40.0 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.8 mt -71.79 -33.53 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.797 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.69 -55.38 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.403 ' CG2' ' CD1' ' A' ' 511' ' ' LEU . 21.9 t -56.06 -35.85 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.7 tpp -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 22.04 15.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.18 157.72 16.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.3 tp -74.17 127.98 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 28.1 mt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.15 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 60.75 168.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.71 -176.07 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.4 pp -79.76 110.98 17.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.83 154.06 53.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.453 2.102 . . . . 0.0 112.354 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -102.89 134.4 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.401 ' NE2' HG11 ' A' ' 508' ' ' ILE . 43.0 m-70 -93.24 150.36 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 34.0 p -134.58 144.59 48.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 40.0 t -78.46 110.33 13.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.737 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -13.3 37.2 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.511 2.14 . . . . 0.0 112.837 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -69.58 -54.71 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 111.017 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 25.9 p -110.26 -41.24 4.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.73 37.43 1.41 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.29 134.86 37.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 30.7 t -74.2 115.55 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 511' ' ' LEU . 4.3 mt -103.44 116.44 62.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.427 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -44.06 -48.59 9.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.848 2.366 . . . . 0.0 113.408 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.05 -177.65 5.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.755 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.401 HG11 ' NE2' ' A' ' 496' ' ' HIS . 4.1 mp -69.79 -29.67 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.051 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.0 -51.22 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 511' ' ' LEU . 2.5 t -70.82 -32.82 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.366 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.417 ' N ' HG21 ' A' ' 510' ' ' THR . 6.7 tp -70.97 -39.19 72.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.989 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -61.34 -52.08 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.86 -29.06 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -70.26 -55.48 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.71 -29.65 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 ttt -54.39 -31.91 55.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.86 -17.34 11.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.3 t -99.26 119.77 38.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 111.269 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.5 mp -148.44 131.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.187 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.827 0.346 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.82 82.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -176.97 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 30.7 mm -115.53 94.31 39.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.28 167.78 1.17 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.442 2.095 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.01 154.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 0.0 OUTLIER -145.52 80.48 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 39.3 m -134.54 144.23 47.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.49 108.67 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.99 -13.35 39.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.657 2.238 . . . . 0.0 112.749 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -69.76 -54.32 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.082 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.5 -36.06 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 103.39 41.15 2.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.603 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.46 132.76 36.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.57 121.26 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 496' ' ' HIS . 0.9 OUTLIER -111.02 150.81 42.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.751 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 505' ' ' LEU . 1.9 Cg_endo -82.76 -37.6 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.934 2.423 . . . . 0.0 113.012 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.423 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.9 p30 -139.85 169.93 16.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.048 0.451 . . . . 0.0 111.692 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 4.1 mp -73.13 -21.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.4 -51.18 62.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.981 0.419 . . . . 0.0 110.139 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -35.97 73.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.832 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 508' ' ' ILE . 4.9 tp -65.32 -39.66 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.624 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -66.16 -48.32 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.15 -30.92 50.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -66.7 -55.23 16.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 25.8 t -57.58 -31.31 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -31.72 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -111.6 18.28 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 t -99.15 158.8 15.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 12.4 tt -73.29 118.37 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.264 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 92.45 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -99.45 39.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.9 tp -136.33 133.52 19.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.76 167.89 23.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.485 2.123 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.82 148.45 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' HIS . . . . . 0.585 ' O ' ' HB2' ' A' ' 505' ' ' LEU . 0.4 OUTLIER -134.54 86.24 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.682 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 35.9 p -78.64 144.94 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.2 112.13 23.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.981 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.49 -15.84 46.08 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.823 2.348 . . . . 0.0 113.283 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -69.7 -46.42 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.64 0.257 . . . . 0.0 111.286 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.4 -42.29 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.88 50.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.585 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.45 127.63 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.768 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.04 116.95 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.295 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 496' ' ' HIS . 4.0 mm? -112.38 130.75 23.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' PRO . . . . . 0.45 ' HD2' HD11 ' A' ' 505' ' ' LEU . 12.0 Cg_endo -55.15 -49.09 17.6 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.6 2.2 . . . . 0.0 113.027 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 510' ' ' THR . 1.2 p30 -130.01 -176.04 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.041 0.448 . . . . 0.0 111.89 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.78 -36.86 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.38 -43.27 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.016 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.434 HG21 ' CD1' ' A' ' 505' ' ' LEU . 14.6 t -70.32 -34.61 72.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.41 ' N ' HG21 ' A' ' 510' ' ' THR . 0.2 OUTLIER -70.18 -38.56 75.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.822 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.44 -46.26 89.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.9 -32.99 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.41 -55.5 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 40.9 t -58.75 -29.56 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -106.51 15.23 26.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.281 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 31.0 t -99.23 157.99 16.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.5 tt -70.21 117.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.171 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.825 ' HB3' HD22 ' A' ' 511' ' ' LEU . 59.6 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 133.88 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 37.6 t -78.73 122.17 84.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.94 -15.82 12.96 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.557 2.171 . . . . 0.0 112.894 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.68 -34.07 73.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.2 p -136.73 -48.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 119.13 36.84 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.91 134.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.46 111.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 511' ' ' LEU . 5.3 mt -109.54 110.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.761 ' HD2' HG21 ' A' ' 510' ' ' THR . 18.8 Cg_endo -59.09 -33.22 98.44 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 0.0 113.079 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.406 ' O ' HG22 ' A' ' 510' ' ' THR . 4.2 p-10 -142.55 -179.86 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.458 . . . . 0.0 111.812 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.79 HD12 ' NE2' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -74.94 -37.73 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.5 -47.09 82.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.761 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.2 t -70.42 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.906 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.2 tp -70.52 -38.61 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.603 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.81 -48.78 77.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.46 -32.43 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -70.31 -55.51 8.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 511' ' ' LEU . 61.2 t -59.34 -30.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.79 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.34 22.39 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 179.841 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.709 ' HB3' HD22 ' A' ' 511' ' ' LEU . 66.7 m80 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.813 0.339 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.2 p -134.47 138.69 44.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.74 121.32 83.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.72 -14.92 15.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.596 2.197 . . . . 0.0 113.054 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -69.7 -44.86 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.235 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.1 p -123.16 -41.83 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 114.08 29.27 2.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.51 134.61 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.27 118.23 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.6 mt -109.95 104.5 55.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.86 ' HD2' HG21 ' A' ' 510' ' ' THR . 91.4 Cg_exo -44.05 -39.69 11.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.837 2.358 . . . . 0.0 113.275 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 510' ' ' THR . 21.7 p30 -148.93 -177.05 5.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 111.767 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.429 HD12 HD23 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -69.08 -34.62 64.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.085 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.28 -50.53 72.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.551 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.86 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.3 t -70.44 -32.58 70.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 110.232 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.739 ' HA ' HD22 ' A' ' 505' ' ' LEU . 3.4 tp -70.2 -37.86 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.74 -45.6 81.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.51 -30.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.22 -55.32 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.9 t -59.24 -29.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.4 mmm -68.88 -29.77 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.34 22.26 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.297 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.967 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.755 ' HB3' HD22 ' A' ' 511' ' ' LEU . 89.0 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 54.1 p -134.74 135.54 41.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 41.0 t -78.62 117.88 69.06 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.68 -15.05 17.37 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.598 2.198 . . . . 0.0 112.999 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -39.41 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.155 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.14 -48.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.02 37.67 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 134.81 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.36 118.41 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.943 HD22 ' HA ' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.83 139.94 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.407 ' HG2' HG21 ' A' ' 510' ' ' THR . 88.4 Cg_endo -80.75 -33.38 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.562 2.175 . . . . 0.0 112.977 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -154.66 174.01 15.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.619 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 508' ' ' ILE . 0.3 OUTLIER -64.33 -43.08 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 1.2 t0 -57.58 -45.95 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.966 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 506' ' ' PRO . 2.8 p -70.57 -33.81 71.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.973 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.943 ' HA ' HD22 ' A' ' 505' ' ' LEU . 0.8 OUTLIER -69.82 -37.85 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.718 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.84 -40.62 89.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.9 -31.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -70.26 -55.42 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.43 -34.83 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.24 -31.94 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -23.1 14.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.818 ' HB3' HD22 ' A' ' 511' ' ' LEU . 1.3 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 52.3 p -129.76 136.64 49.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 36.9 t -78.63 111.21 17.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.32 -16.83 49.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.682 2.255 . . . . 0.0 112.877 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.74 -53.39 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -113.9 -40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.25 26.5 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.64 134.47 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.13 126.65 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.12 143.27 28.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.16 -47.14 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.468 2.112 . . . . 0.0 112.674 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -141.82 167.36 22.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 111.515 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 1.1 tt -60.61 -42.83 93.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.6 OUTLIER -57.67 -46.12 84.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.901 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.42 -34.9 73.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.116 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.0 tp -69.23 -37.86 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.7 -34.5 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.71 -41.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.87 -55.32 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.561 HG23 HD12 ' A' ' 511' ' ' LEU . 22.6 t -56.3 -29.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -35.07 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.81 22.27 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.949 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.83 ' HB3' HD22 ' A' ' 511' ' ' LEU . 16.7 m80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.854 0.359 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 43.5 p -134.57 142.36 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.72 110.89 15.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.521 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.14 -18.51 18.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.478 2.119 . . . . 0.0 112.827 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -41.99 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.342 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.64 -39.97 3.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 107.8 33.76 2.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -97.27 134.47 40.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.59 128.17 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.3 mt -116.24 122.11 32.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.81 ' HD2' HG21 ' A' ' 510' ' ' THR . 12.3 Cg_endo -56.59 -42.14 68.49 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.575 2.183 . . . . 0.0 112.974 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 510' ' ' THR . 21.6 p-10 -143.8 173.07 12.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.082 0.468 . . . . 0.0 111.795 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.608 HD12 ' NE2' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -65.13 -32.26 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.77 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -57.56 -50.61 72.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.81 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.6 t -70.45 -32.62 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.13 0.49 . . . . 0.0 110.269 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.4 tp -70.74 -37.84 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.818 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.98 -52.17 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.25 -30.83 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.758 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.1 -51.15 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 511' ' ' LEU . 24.1 t -66.55 -30.71 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -32.15 56.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.23 -20.28 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 111.216 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.844 ' HB3' HD22 ' A' ' 511' ' ' LEU . 28.5 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -134.56 138.31 44.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.52 109.74 11.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.74 -17.5 29.32 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.606 2.204 . . . . 0.0 112.669 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.411 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 21.1 p -127.13 -42.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 111.246 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.4 39.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.372 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.67 134.64 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.47 110.25 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 506' ' ' PRO . 3.6 mm? -89.55 132.15 37.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 505' ' ' LEU . 7.1 Cg_endo -51.17 -49.54 16.77 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.682 2.255 . . . . 0.0 112.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.43 177.8 9.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.567 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.489 HD12 ' NE2' ' A' ' 496' ' ' HIS . 0.6 OUTLIER -64.11 -44.03 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.378 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 12.7 m-20 -57.77 -48.76 78.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.944 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.52 -32.74 70.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.131 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.9 tp -69.83 -37.97 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.742 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -58.17 -39.96 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.71 -31.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.442 ' HB2' HD11 ' A' ' 505' ' ' LEU . 81.2 t60 -70.34 -55.41 9.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 511' ' ' LEU . 38.1 t -63.94 -29.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 25.4 ttt -55.7 -32.41 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.69 -23.08 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.371 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.269 -179.752 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.79 ' HB3' HD22 ' A' ' 511' ' ' LEU . 25.7 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 80.7 p -134.44 132.59 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.69 112.39 26.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.73 -17.65 60.17 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.719 2.28 . . . . 0.0 113.091 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -54.33 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.6 p -116.69 -42.05 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.95 27.08 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 134.6 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.817 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 113.42 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.15 141.56 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.81 -42.6 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.91 166.55 24.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 111.426 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.9 OUTLIER -59.65 -41.95 86.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 5.0 m-20 -57.87 -45.94 85.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.982 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.9 p -70.44 -34.34 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.5 tp -70.36 -37.82 74.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -62.56 -36.83 83.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 510' ' ' THR . 16.5 mt -70.78 -34.16 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.23 -54.13 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 511' ' ' LEU . 38.7 t -53.41 -46.76 58.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.441 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 18.6 ptm -60.65 -33.03 72.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.0 9.74 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.321 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.843 ' HB3' HD22 ' A' ' 511' ' ' LEU . 14.6 m80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.3 p -134.64 141.2 46.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.74 117.71 68.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.18 -15.24 18.34 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.542 2.162 . . . . 0.0 113.111 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -38.91 77.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -132.07 -49.77 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 121.65 67.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.32 134.8 54.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 0.0 110.58 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.18 123.71 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.78 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.1 mt -124.44 104.64 31.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.688 ' HD2' HG21 ' A' ' 510' ' ' THR . 80.5 Cg_exo -48.19 -38.55 33.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.837 2.358 . . . . 0.0 113.283 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -140.44 -179.11 5.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.171 0.51 . . . . 0.0 111.799 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 496' ' ' HIS . 0.3 OUTLIER -74.98 -36.66 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.714 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -47.78 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.688 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.4 t -70.31 -32.74 70.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 110.011 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.843 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.5 tp -70.78 -37.83 73.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.779 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.13 -45.3 92.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.34 -33.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.32 -55.5 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 511' ' ' LEU . 40.3 t -58.65 -29.5 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -31.57 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.37 18.88 16.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.252 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.821 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 3.0 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.944 0.402 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.45 141.66 46.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 122.4 76.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.23 -18.38 14.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.978 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -69.77 -34.97 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.178 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.38 -51.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.3 36.48 0.8 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -86.41 134.82 33.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.08 132.27 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.6 mt -121.18 158.48 52.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 510' ' ' THR . 95.2 Cg_endo -86.56 -37.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.815 2.344 . . . . 0.0 113.143 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.03 179.21 8.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 31.0 mm -69.56 -41.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.983 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.94 -45.25 86.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.0 p -70.41 -34.92 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.909 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.813 ' HB2' HD13 ' A' ' 505' ' ' LEU . 1.6 tp -68.92 -37.84 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.606 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.58 -45.65 89.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.0 mt -61.46 -33.55 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.28 -55.24 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.1 t -57.81 -29.77 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.2 tpt -71.43 -31.85 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.92 14.67 22.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.59 ' CE1' ' HB ' ' A' ' 508' ' ' ILE . 21.7 m80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.64 144.27 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.724 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' CYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 514' ' ' HIS . 50.5 t -78.78 125.47 84.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.92 -16.42 8.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.72 2.28 . . . . 0.0 113.042 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -51.29 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.186 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.83 -43.11 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.93 29.57 2.36 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.589 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 132.91 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' VAL . . . . . 0.52 ' C ' HD22 ' A' ' 505' ' ' LEU . 21.5 t -80.33 120.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.929 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -116.57 111.47 41.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.27 -47.6 10.56 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.683 2.255 . . . . 0.0 113.084 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.534 ' O ' HG22 ' A' ' 510' ' ' THR . 16.6 p-10 -132.67 -176.05 3.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.093 0.473 . . . . 0.0 111.707 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.59 ' HB ' ' CE1' ' A' ' 496' ' ' HIS . 2.6 tt -80.65 -34.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.395 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.13 -46.69 82.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.562 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 505' ' ' LEU . 15.0 t -68.06 -33.18 74.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.133 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 511' ' ' LEU . 2.7 tm? -66.25 -48.2 71.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.831 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.82 -36.97 49.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.16 0.505 . . . . 0.0 109.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.4 mt -72.18 -29.57 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.615 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 498' ' ' CYS . 70.6 t60 -70.68 -55.45 8.69 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.891 0.377 . . . . 0.0 111.159 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.5 -29.58 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.358 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 39.7 ttp -68.52 -26.51 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.209 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.94 -23.15 12.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.32 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.495 ' HB3' HD22 ' A' ' 511' ' ' LEU . 27.2 m80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.3 p -134.49 144.24 47.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.71 123.1 85.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.84 -15.31 13.41 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.613 2.209 . . . . 0.0 113.179 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -69.8 -52.84 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.228 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.8 -37.3 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.28 20.72 4.67 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.651 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 134.61 49.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 504' ' ' VAL . . . . . 0.54 ' C ' HD22 ' A' ' 505' ' ' LEU . 26.7 t -81.02 120.66 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.54 HD22 ' C ' ' A' ' 504' ' ' VAL . 3.1 mm? -110.24 139.92 21.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.32 -41.71 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.522 2.148 . . . . 0.0 112.842 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -141.83 171.36 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 111.446 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.477 HD11 ' NE2' ' A' ' 496' ' ' HIS . 29.9 mm -63.98 -36.93 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.94 -47.45 86.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.241 0.544 . . . . 0.0 109.732 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.8 p -70.42 -35.45 73.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.178 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 515' ' ' VAL . 5.5 tp -70.68 -37.83 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -62.38 -39.61 93.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.17 -40.23 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.38 -55.41 21.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.5 t -58.01 -29.61 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -34.47 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.77 22.31 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 8.3 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.6 p -134.64 125.21 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.52 112.79 29.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.383 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.58 -19.97 62.41 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.724 2.283 . . . . 0.0 113.056 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -69.75 -54.51 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.706 0.288 . . . . 0.0 111.294 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.17 -45.04 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.98 26.83 3.95 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.76 134.79 37.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.44 106.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.472 HD13 ' HD3' ' A' ' 506' ' ' PRO . 1.4 mm? -86.82 162.67 43.75 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.083 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.472 ' HD3' HD13 ' A' ' 505' ' ' LEU . 3.9 Cg_exo -74.55 -52.29 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.841 2.361 . . . . 0.0 112.44 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.439 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -147.26 175.4 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.4 -34.09 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.32 -50.95 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 109.831 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.7 p -70.6 -33.23 70.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.169 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 511' ' ' LEU . 8.6 tp -70.92 -37.84 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.619 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -39.3 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.38 -36.29 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.77 -52.11 58.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.3 -30.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -57.56 -32.86 67.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.07 -23.01 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.008 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 506' ' ' PRO . 9.6 m80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.872 0.368 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.4 p -134.75 121.28 20.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.64 122.33 84.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.25 -16.79 22.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.158 . . . . 0.0 113.025 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -69.81 -54.11 15.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -114.5 -45.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.141 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.48 12.71 7.9 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.769 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 134.64 47.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.56 108.56 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 2.7 mm? -85.61 164.65 39.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 510' ' ' THR . 71.8 Cg_endo -81.88 -48.29 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.458 2.106 . . . . 0.0 112.762 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -140.82 166.06 25.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.761 HD12 HD23 ' A' ' 511' ' ' LEU . 3.3 tp -59.88 -42.46 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.7 OUTLIER -57.7 -45.82 85.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.957 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 506' ' ' PRO . 2.9 p -70.52 -34.54 72.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.024 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.1 tp -69.91 -37.77 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.745 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.11 -45.98 91.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.5 mm -68.96 -38.12 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -61.94 -55.36 30.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.773 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.2 t -56.61 -32.89 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.5 ttp -69.85 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 20.8 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.605 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.84 0.352 . . . . 0.0 110.734 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.2 p -134.46 130.04 36.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.0 t -78.83 111.58 20.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.12 -18.99 57.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.66 2.24 . . . . 0.0 112.824 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -50.04 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.0 p -115.99 -47.57 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.74 28.19 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.02 134.53 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 29.3 t -74.44 108.97 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -99.72 148.23 34.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.013 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.455 ' HD2' HG21 ' A' ' 510' ' ' THR . 97.2 Cg_endo -86.38 -38.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.871 2.381 . . . . 0.0 113.042 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -137.74 164.47 28.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.044 0.449 . . . . 0.0 111.549 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 508' ' ' ILE . 3.2 mp -71.53 -20.36 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.122 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -51.02 62.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.455 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.845 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 505' ' ' LEU . 5.6 tp -60.42 -37.84 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 508' ' ' ILE . 44.2 mm-40 -65.24 -49.4 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.793 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.06 -31.91 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.9 -55.32 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.768 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.0 t -57.38 -30.74 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.66 11.67 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.314 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.905 ' HB3' HD22 ' A' ' 511' ' ' LEU . 10.3 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.871 0.367 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.5 135.27 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.57 119.45 77.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -15.78 19.45 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.623 2.215 . . . . 0.0 112.996 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.8 -41.03 75.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 111.021 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.5 p -127.42 -44.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.41 33.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.15 134.48 33.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.57 122.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 4.3 mm? -108.0 127.02 28.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.51 -45.31 41.96 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.586 2.19 . . . . 0.0 112.879 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -151.86 -179.76 7.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.989 0.423 . . . . 0.0 111.687 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.4 OUTLIER -65.77 -43.14 93.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.2 OUTLIER -57.79 -47.95 81.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.907 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 513' ' ' ILE . 3.0 p -70.48 -32.82 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.204 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.4 tp -70.1 -38.02 75.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.73 -36.19 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 510' ' ' THR . 14.6 mt -71.77 -32.11 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -70.16 -55.27 9.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.426 HG23 HD12 ' A' ' 511' ' ' LEU . 24.8 t -58.71 -29.52 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.09 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.065 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -23.11 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.295 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -179.894 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.718 ' HB3' HD22 ' A' ' 511' ' ' LEU . 76.9 m80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.67 133.72 49.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.7 121.13 83.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.739 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.22 -15.97 17.84 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -38.32 76.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.23 -45.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.6 31.7 1.91 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.8 134.69 34.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.3 t -74.22 120.01 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 506' ' ' PRO . 4.4 mm? -103.22 139.67 20.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.408 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 505' ' ' LEU . 33.8 Cg_exo -59.88 -52.06 4.94 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.604 2.202 . . . . 0.0 112.371 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -157.28 -176.58 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.1 OUTLIER -58.41 -43.43 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 29.8 m-20 -57.93 -51.28 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.485 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 513' ' ' ILE . 7.3 p -70.75 -32.81 70.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.273 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 496' ' ' HIS . 7.8 tp -68.17 -37.9 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -38.18 90.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 513' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 510' ' ' THR . 7.1 mt -68.85 -34.49 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.342 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -70.35 -55.42 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.4 t -56.85 -29.53 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.418 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -46.26 73.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.372 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -89.48 -23.1 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.505 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.067 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 38.9 m-70 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -136.01 144.27 45.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.9 t -89.88 128.5 49.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.254 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.0 -20.56 11.51 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.454 2.103 . . . . 0.0 112.974 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 500' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.34 -52.48 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.567 -179.597 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.63 -47.15 3.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.27 26.03 4.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.387 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 135.06 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.0 t -73.88 104.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 1.2 mt -86.88 146.72 41.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.185 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.729 ' HD2' HG21 ' A' ' 510' ' ' THR . 49.1 Cg_endo -69.54 -41.56 4.44 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.424 2.083 . . . . 0.0 113.337 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.495 ' O ' HG22 ' A' ' 510' ' ' THR . 4.6 p-10 -140.97 173.37 11.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 112.112 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 28.0 mm -72.41 -35.8 52.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.998 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.78 -47.6 82.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.729 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.9 OUTLIER -70.5 -32.89 70.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 179.072 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.9 tp -69.56 -40.0 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.8 mt -71.79 -33.53 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.797 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -65.69 -55.38 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.9 t -56.06 -35.85 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.7 tpp -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 22.04 15.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.876 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.67 ' HB3' HD22 ' A' ' 511' ' ' LEU . 43.0 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.899 0.381 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 34.0 p -134.58 144.59 48.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' CYS . . . . . 0.506 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.0 t -78.46 110.33 13.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.737 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -13.3 37.2 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.511 2.14 . . . . 0.0 112.837 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -69.58 -54.71 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 111.017 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 25.9 p -110.26 -41.24 4.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.73 37.43 1.41 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.29 134.86 37.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 30.7 t -74.2 115.55 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 511' ' ' LEU . 4.3 mt -103.44 116.44 62.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.427 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.874 ' HD2' HG21 ' A' ' 510' ' ' THR . 93.1 Cg_exo -44.06 -48.59 9.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.848 2.366 . . . . 0.0 113.408 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.05 -177.65 5.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.755 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -69.79 -29.67 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.051 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.0 -51.22 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.874 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.5 t -70.82 -32.82 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.366 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 505' ' ' LEU . 6.7 tp -70.97 -39.19 72.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.989 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 512' ' ' GLN . . . . . 0.534 ' HG2' HG22 ' A' ' 508' ' ' ILE . 45.2 mm-40 -61.34 -52.08 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.86 -29.06 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -70.26 -55.48 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 511' ' ' LEU . 92.0 t -63.71 -29.65 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 ttt -54.39 -31.91 55.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.86 -17.34 11.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 111.269 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.797 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 39.3 m -134.54 144.23 47.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.49 108.67 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.99 -13.35 39.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.657 2.238 . . . . 0.0 112.749 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -69.76 -54.32 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.082 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.5 -36.06 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 103.39 41.15 2.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.603 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.46 132.76 36.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.57 121.26 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.02 150.81 42.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.751 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.48 ' HD2' HG21 ' A' ' 510' ' ' THR . 1.9 Cg_endo -82.76 -37.6 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.934 2.423 . . . . 0.0 113.012 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -139.85 169.93 16.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.048 0.451 . . . . 0.0 111.692 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -73.13 -21.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.4 -51.18 62.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.981 0.419 . . . . 0.0 110.139 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.48 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.62 -35.97 73.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.832 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.797 HD22 ' HA ' ' A' ' 496' ' ' HIS . 4.9 tp -65.32 -39.66 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.624 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 508' ' ' ILE . 55.5 mm-40 -66.16 -48.32 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.788 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.15 -30.92 50.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -66.7 -55.23 16.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.8 t -57.58 -31.31 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -31.72 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -111.6 18.28 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 496' ' ' HIS . . . . . 0.697 ' CB ' HD22 ' A' ' 511' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.228 -0.072 0 CA-C-O 120.865 0.364 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 35.9 p -78.64 144.94 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.2 112.13 23.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.981 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.49 -15.84 46.08 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.823 2.348 . . . . 0.0 113.283 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -69.7 -46.42 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.64 0.257 . . . . 0.0 111.286 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.4 -42.29 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.88 50.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.585 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.45 127.63 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.768 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.04 116.95 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.295 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -112.38 130.75 23.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 506' ' ' PRO . . . . . 0.407 ' HG2' HG21 ' A' ' 510' ' ' THR . 12.0 Cg_endo -55.15 -49.09 17.6 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.6 2.2 . . . . 0.0 113.027 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.531 ' O ' HG22 ' A' ' 510' ' ' THR . 1.2 p30 -130.01 -176.04 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.041 0.448 . . . . 0.0 111.89 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 508' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -80.78 -36.86 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.771 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.38 -43.27 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.016 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' THR . . . . . 0.968 HG23 HD12 ' A' ' 505' ' ' LEU . 14.6 t -70.32 -34.61 72.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.697 HD22 ' CB ' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -70.18 -38.56 75.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.822 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.44 -46.26 89.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.9 -32.99 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.41 -55.5 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.606 HG23 HD12 ' A' ' 511' ' ' LEU . 40.9 t -58.75 -29.56 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -106.51 15.23 26.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.281 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.777 0.322 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -129.21 114.39 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.11 -177.96 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.5 80.22 16.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.38 148.59 41.48 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 16.1 tt -130.04 131.25 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.825 ' HB3' HD22 ' A' ' 511' ' ' LEU . 59.6 m80 -79.22 140.88 37.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 133.88 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 37.6 t -78.73 122.17 84.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.94 -15.82 12.96 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.557 2.171 . . . . 0.0 112.894 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.68 -34.07 73.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.2 p -136.73 -48.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 119.13 36.84 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.91 134.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.46 111.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 511' ' ' LEU . 5.3 mt -109.54 110.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.761 ' HD2' HG21 ' A' ' 510' ' ' THR . 18.8 Cg_endo -59.09 -33.22 98.44 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 0.0 113.079 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.406 ' O ' HG22 ' A' ' 510' ' ' THR . 4.2 p-10 -142.55 -179.86 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.458 . . . . 0.0 111.812 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.79 HD12 ' NE2' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -74.94 -37.73 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.5 -47.09 82.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.761 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.2 t -70.42 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.906 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.2 tp -70.52 -38.61 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.603 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.81 -48.78 77.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.46 -32.43 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -70.31 -55.51 8.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 511' ' ' LEU . 61.2 t -59.34 -30.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.79 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.34 22.39 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.04 157.94 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 519' ' ' ILE . 18.7 tt -68.91 116.99 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.121 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 59.94 165.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -62.1 171.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' ILE . . . . . 0.645 HG23 ' O ' ' A' ' 493' ' ' ILE . 0.9 OUTLIER -112.61 93.46 23.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.21 135.6 65.33 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.475 2.117 . . . . 0.0 112.25 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 tt -130.45 147.78 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.709 ' HB3' HD22 ' A' ' 511' ' ' LEU . 66.7 m80 -119.04 146.38 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.2 p -134.47 138.69 44.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.74 121.32 83.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.72 -14.92 15.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.596 2.197 . . . . 0.0 113.054 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -69.7 -44.86 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.235 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.1 p -123.16 -41.83 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 114.08 29.27 2.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.51 134.61 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.27 118.23 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.6 mt -109.95 104.5 55.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.86 ' HD2' HG21 ' A' ' 510' ' ' THR . 91.4 Cg_exo -44.05 -39.69 11.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.837 2.358 . . . . 0.0 113.275 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 510' ' ' THR . 21.7 p30 -148.93 -177.05 5.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 111.767 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.429 HD12 HD23 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -69.08 -34.62 64.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.085 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.28 -50.53 72.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.551 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.86 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.3 t -70.44 -32.58 70.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 110.232 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.739 ' HA ' HD22 ' A' ' 505' ' ' LEU . 3.4 tp -70.2 -37.86 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.74 -45.6 81.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.51 -30.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.22 -55.32 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.9 t -59.24 -29.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.4 mmm -68.88 -29.77 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.34 22.26 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.297 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 47.9 t -99.11 156.72 16.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 5.1 tp -70.41 138.52 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.041 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.754 0.312 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.03 166.76 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -156.93 -44.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 506' ' ' PRO . 3.2 mp -87.06 111.67 42.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.87 163.55 21.74 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.526 2.151 . . . . 0.0 112.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.1 mm -108.52 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.755 ' HB3' HD22 ' A' ' 511' ' ' LEU . 89.0 m-70 -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 54.1 p -134.74 135.54 41.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 41.0 t -78.62 117.88 69.06 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.68 -15.05 17.37 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.598 2.198 . . . . 0.0 112.999 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -39.41 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.155 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.14 -48.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.02 37.67 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 134.81 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.36 118.41 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.943 HD22 ' HA ' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.83 139.94 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.522 ' O ' HG22 ' A' ' 493' ' ' ILE . 88.4 Cg_endo -80.75 -33.38 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.562 2.175 . . . . 0.0 112.977 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -154.66 174.01 15.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.619 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 508' ' ' ILE . 0.3 OUTLIER -64.33 -43.08 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 1.2 t0 -57.58 -45.95 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.966 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 506' ' ' PRO . 2.8 p -70.57 -33.81 71.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.973 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.943 ' HA ' HD22 ' A' ' 505' ' ' LEU . 0.8 OUTLIER -69.82 -37.85 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.718 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.84 -40.62 89.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.9 -31.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -70.26 -55.42 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.43 -34.83 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.24 -31.94 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -23.1 14.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.21 158.81 30.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 519' ' ' ILE . 1.1 tt -72.12 114.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.208 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.874 0.369 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.02 177.84 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.74 -168.47 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' ILE . . . . . 0.654 ' H ' HD13 ' A' ' 493' ' ' ILE . 0.2 OUTLIER -118.83 146.06 39.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.093 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.48 151.5 53.36 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.588 2.192 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 1.6 mp -125.66 144.68 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.025 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.818 ' HB3' HD22 ' A' ' 511' ' ' LEU . 1.3 m80 -102.23 147.72 26.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 52.3 p -129.76 136.64 49.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 36.9 t -78.63 111.21 17.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.32 -16.83 49.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.682 2.255 . . . . 0.0 112.877 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.74 -53.39 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -113.9 -40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.25 26.5 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.64 134.47 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.13 126.65 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.12 143.27 28.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.16 -47.14 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.468 2.112 . . . . 0.0 112.674 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -141.82 167.36 22.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 111.515 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 1.1 tt -60.61 -42.83 93.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.6 OUTLIER -57.67 -46.12 84.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.901 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.42 -34.9 73.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.116 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.0 tp -69.23 -37.86 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.7 -34.5 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.71 -41.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.87 -55.32 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.561 HG23 HD12 ' A' ' 511' ' ' LEU . 22.6 t -56.3 -29.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -35.07 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.81 22.27 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 35.9 t -99.14 158.5 15.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 519' ' ' ILE . 6.9 tp -67.57 119.67 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.164 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.37 40.02 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -74.07 -177.7 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 10.0 pt -83.27 152.35 64.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.24 136.55 31.99 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.62 2.213 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.4 126.84 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.83 ' HB3' HD22 ' A' ' 511' ' ' LEU . 16.7 m80 -96.69 147.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 43.5 p -134.57 142.36 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.72 110.89 15.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.521 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.14 -18.51 18.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.478 2.119 . . . . 0.0 112.827 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 519' ' ' ILE . 0.0 OUTLIER -69.73 -41.99 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.342 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.64 -39.97 3.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 107.8 33.76 2.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -97.27 134.47 40.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.59 128.17 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.3 mt -116.24 122.11 32.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.81 ' HD2' HG21 ' A' ' 510' ' ' THR . 12.3 Cg_endo -56.59 -42.14 68.49 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.575 2.183 . . . . 0.0 112.974 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 510' ' ' THR . 21.6 p-10 -143.8 173.07 12.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.082 0.468 . . . . 0.0 111.795 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.608 HD12 ' NE2' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -65.13 -32.26 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.77 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -57.56 -50.61 72.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.81 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.6 t -70.45 -32.62 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.13 0.49 . . . . 0.0 110.269 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.4 tp -70.74 -37.84 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.818 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.98 -52.17 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.25 -30.83 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.758 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.1 -51.15 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 511' ' ' LEU . 24.1 t -66.55 -30.71 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -32.15 56.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.23 -20.28 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 2.1 t -99.02 119.73 38.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 500' ' ' LYS . 2.3 mt -152.7 150.99 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.332 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.801 0.334 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -96.75 -173.23 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -58.83 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.87 85.48 7.8 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.01 147.14 67.02 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.607 2.205 . . . . 0.0 112.374 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 495' ' ' ILE . 0.8 OUTLIER -105.58 125.23 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.844 ' HB3' HD22 ' A' ' 511' ' ' LEU . 28.5 m80 -88.68 144.67 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -134.56 138.31 44.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.52 109.74 11.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.74 -17.5 29.32 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.606 2.204 . . . . 0.0 112.669 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 519' ' ' ILE . 0.8 OUTLIER -69.68 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.411 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 21.1 p -127.13 -42.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 111.246 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.4 39.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.372 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.67 134.64 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.47 110.25 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 506' ' ' PRO . 3.6 mm? -89.55 132.15 37.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 505' ' ' LEU . 7.1 Cg_endo -51.17 -49.54 16.77 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.682 2.255 . . . . 0.0 112.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.43 177.8 9.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.567 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.489 HD12 ' NE2' ' A' ' 496' ' ' HIS . 0.6 OUTLIER -64.11 -44.03 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.378 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 12.7 m-20 -57.77 -48.76 78.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.944 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.52 -32.74 70.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.131 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.9 tp -69.83 -37.97 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.742 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -58.17 -39.96 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.71 -31.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.442 ' HB2' HD11 ' A' ' 505' ' ' LEU . 81.2 t60 -70.34 -55.41 9.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 511' ' ' LEU . 38.1 t -63.94 -29.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 25.4 ttt -55.7 -32.41 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.69 -23.08 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.371 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.16 119.83 26.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.269 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 500' ' ' LYS . 3.9 mt -152.52 111.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.351 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.824 0.345 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 492' ' ' ASN . 4.3 mtt85 -123.87 140.75 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 491' ' ' ARG . 3.8 m-20 65.21 -72.41 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.29 102.42 53.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 151.8 27.4 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.474 2.116 . . . . 0.0 112.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.638 HD11 HG13 ' A' ' 504' ' ' VAL . 8.6 tt -132.77 135.08 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.244 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.79 ' HB3' HD22 ' A' ' 511' ' ' LEU . 25.7 m-70 -100.27 146.01 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 80.7 p -134.44 132.59 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.69 112.39 26.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.73 -17.65 60.17 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.719 2.28 . . . . 0.0 113.091 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -54.33 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.6 p -116.69 -42.05 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.95 27.08 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 134.6 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.817 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' VAL . . . . . 0.638 HG13 HD11 ' A' ' 495' ' ' ILE . 21.4 t -74.66 113.42 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.15 141.56 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.81 -42.6 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.91 166.55 24.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 111.426 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.9 OUTLIER -59.65 -41.95 86.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 5.0 m-20 -57.87 -45.94 85.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.982 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.9 p -70.44 -34.34 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.5 tp -70.36 -37.82 74.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -62.56 -36.83 83.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 510' ' ' THR . 16.5 mt -70.78 -34.16 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.23 -54.13 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 511' ' ' LEU . 38.7 t -53.41 -46.76 58.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.441 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 18.6 ptm -60.65 -33.03 72.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.0 9.74 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.321 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.7 t -99.24 158.02 15.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 519' ' ' ILE . 0.9 OUTLIER -74.53 113.38 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.124 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.785 0.326 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -141.7 174.29 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.69 42.09 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.94 101.44 51.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.41 155.93 68.3 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.345 2.03 . . . . 0.0 112.153 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.33 131.28 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.843 ' HB3' HD22 ' A' ' 511' ' ' LEU . 14.6 m80 -135.56 140.12 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.595 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.3 p -134.64 141.2 46.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.74 117.71 68.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.18 -15.24 18.34 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.542 2.162 . . . . 0.0 113.111 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -38.91 77.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -132.07 -49.77 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 121.65 67.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.32 134.8 54.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 0.0 110.58 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.18 123.71 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.78 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.1 mt -124.44 104.64 31.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.688 ' HD2' HG21 ' A' ' 510' ' ' THR . 80.5 Cg_exo -48.19 -38.55 33.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.837 2.358 . . . . 0.0 113.283 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -140.44 -179.11 5.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.171 0.51 . . . . 0.0 111.799 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 496' ' ' HIS . 0.3 OUTLIER -74.98 -36.66 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.714 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -47.78 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.688 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.4 t -70.31 -32.74 70.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 110.011 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.843 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.5 tp -70.78 -37.83 73.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.779 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.13 -45.3 92.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.34 -33.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.32 -55.5 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 511' ' ' LEU . 40.3 t -58.65 -29.5 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -31.57 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.37 18.88 16.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.252 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 49.7 t -99.18 156.9 16.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 519' ' ' ILE . 0.9 OUTLIER -68.87 111.16 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.277 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -158.1 122.71 4.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.69 133.71 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 494' ' ' PRO . 2.7 pp -130.5 153.66 81.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.57 ' O ' HD12 ' A' ' 493' ' ' ILE . 37.1 Cg_endo -65.82 163.48 30.55 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.591 2.194 . . . . 0.0 112.191 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 495' ' ' ILE . 2.2 mp -109.55 146.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 3.0 m-70 -145.55 77.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.677 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.45 141.66 46.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 122.4 76.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.23 -18.38 14.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.978 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -69.77 -34.97 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.178 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.38 -51.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.3 36.48 0.8 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -86.41 134.82 33.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.08 132.27 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.6 mt -121.18 158.48 52.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 510' ' ' THR . 95.2 Cg_endo -86.56 -37.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.815 2.344 . . . . 0.0 113.143 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -152.03 179.21 8.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 31.0 mm -69.56 -41.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.983 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.94 -45.25 86.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.0 p -70.41 -34.92 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.909 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.813 ' HB2' HD13 ' A' ' 505' ' ' LEU . 1.6 tp -68.92 -37.84 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.606 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.58 -45.65 89.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.0 mt -61.46 -33.55 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.28 -55.24 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.1 t -57.81 -29.77 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.2 tpt -71.43 -31.85 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.92 14.67 22.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 48.7 t -99.24 156.81 16.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.9 tt -70.99 128.18 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 29.1 mm . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.039 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.816 0.341 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.81 133.01 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -61.31 140.62 57.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 493' ' ' ILE . 1.1 pp -130.53 80.22 70.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.54 151.56 30.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.505 2.137 . . . . 0.0 112.298 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 496' ' ' HIS . 31.4 mt -73.33 157.88 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.59 ' CE1' ' HB ' ' A' ' 508' ' ' ILE . 21.7 m80 -88.63 129.86 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.64 144.27 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.724 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' CYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 514' ' ' HIS . 50.5 t -78.78 125.47 84.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.92 -16.42 8.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.72 2.28 . . . . 0.0 113.042 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' LYS . . . . . 0.445 ' HE2' HG23 ' A' ' 520' ' ' ILE . 0.0 OUTLIER -69.86 -51.29 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.186 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.83 -43.11 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.93 29.57 2.36 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.589 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 132.91 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' VAL . . . . . 0.52 ' C ' HD22 ' A' ' 505' ' ' LEU . 21.5 t -80.33 120.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.929 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -116.57 111.47 41.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.27 -47.6 10.56 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.683 2.255 . . . . 0.0 113.084 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.534 ' O ' HG22 ' A' ' 510' ' ' THR . 16.6 p-10 -132.67 -176.05 3.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.093 0.473 . . . . 0.0 111.707 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.59 ' HB ' ' CE1' ' A' ' 496' ' ' HIS . 2.6 tt -80.65 -34.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.395 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.13 -46.69 82.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.562 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 505' ' ' LEU . 15.0 t -68.06 -33.18 74.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.133 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 511' ' ' LEU . 2.7 tm? -66.25 -48.2 71.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.831 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.82 -36.97 49.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.16 0.505 . . . . 0.0 109.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.4 mt -72.18 -29.57 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.615 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 498' ' ' CYS . 70.6 t60 -70.68 -55.45 8.69 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.891 0.377 . . . . 0.0 111.159 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.5 -29.58 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.358 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 39.7 ttp -68.52 -26.51 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.209 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.94 -23.15 12.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.32 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 151.03 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.3 tp -67.7 143.33 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.445 HG23 ' HE2' ' A' ' 500' ' ' LYS . 32.3 mt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -147.2 97.81 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.99 103.84 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.5 pt -130.89 105.68 15.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.69 143.06 60.51 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.457 2.105 . . . . 0.0 112.196 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.01 144.21 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.495 ' HB3' HD22 ' A' ' 511' ' ' LEU . 27.2 m80 -114.05 145.34 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.3 p -134.49 144.24 47.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.71 123.1 85.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.84 -15.31 13.41 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.613 2.209 . . . . 0.0 113.179 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -69.8 -52.84 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.228 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.8 -37.3 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.28 20.72 4.67 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.651 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 134.61 49.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 504' ' ' VAL . . . . . 0.54 ' C ' HD22 ' A' ' 505' ' ' LEU . 26.7 t -81.02 120.66 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.54 HD22 ' C ' ' A' ' 504' ' ' VAL . 3.1 mm? -110.24 139.92 21.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.32 -41.71 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.522 2.148 . . . . 0.0 112.842 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -141.83 171.36 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 111.446 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.477 HD11 ' NE2' ' A' ' 496' ' ' HIS . 29.9 mm -63.98 -36.93 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.94 -47.45 86.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.241 0.544 . . . . 0.0 109.732 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.8 p -70.42 -35.45 73.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.178 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 515' ' ' VAL . 5.5 tp -70.68 -37.83 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -62.38 -39.61 93.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.17 -40.23 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.38 -55.41 21.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.5 t -58.01 -29.61 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -34.47 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.77 22.31 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 53.7 t -92.2 156.32 17.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 519' ' ' ILE . 3.8 tp -70.95 105.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 10.1 pt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.124 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.834 0.35 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -108.23 90.17 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -95.89 170.82 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 43.9 pt -106.74 148.32 36.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.94 149.84 53.97 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.547 2.165 . . . . 0.0 112.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 496' ' ' HIS . 3.2 mp -108.92 157.65 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.437 ' N ' HG22 ' A' ' 495' ' ' ILE . 19.9 m-70 -145.53 76.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.6 p -134.64 125.21 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.52 112.79 29.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.383 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.58 -19.97 62.41 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.724 2.283 . . . . 0.0 113.056 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -69.75 -54.51 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.706 0.288 . . . . 0.0 111.294 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.17 -45.04 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.98 26.83 3.95 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.76 134.79 37.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.44 106.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.472 HD13 ' HD3' ' A' ' 506' ' ' PRO . 1.4 mm? -86.82 162.67 43.75 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.083 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.472 ' HD3' HD13 ' A' ' 505' ' ' LEU . 3.9 Cg_exo -74.55 -52.29 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.841 2.361 . . . . 0.0 112.44 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.26 175.4 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.4 -34.09 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.32 -50.95 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 109.831 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.7 p -70.6 -33.23 70.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.169 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 511' ' ' LEU . 8.6 tp -70.92 -37.84 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.619 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -39.3 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.38 -36.29 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.77 -52.11 58.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.3 -30.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -57.56 -32.86 67.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.07 -23.01 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.24 139.84 30.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.1 mt -152.29 150.96 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.513 HG22 ' OXT' ' A' ' 520' ' ' ILE . 50.2 mm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.782 0.325 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 144.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -110.14 -31.08 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.7 mp -118.2 94.62 47.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.71 139.93 49.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.271 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.9 mm -116.5 141.98 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 506' ' ' PRO . 9.6 m80 -134.25 76.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.4 p -134.75 121.28 20.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.64 122.33 84.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.25 -16.79 22.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.158 . . . . 0.0 113.025 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -69.81 -54.11 15.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -114.5 -45.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.141 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.48 12.71 7.9 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.769 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 134.64 47.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.56 108.56 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 2.7 mm? -85.61 164.65 39.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 510' ' ' THR . 71.8 Cg_endo -81.88 -48.29 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.458 2.106 . . . . 0.0 112.762 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -140.82 166.06 25.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.761 HD12 HD23 ' A' ' 511' ' ' LEU . 3.3 tp -59.88 -42.46 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.7 OUTLIER -57.7 -45.82 85.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.957 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 506' ' ' PRO . 2.9 p -70.52 -34.54 72.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.024 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.1 tp -69.91 -37.77 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.745 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.11 -45.98 91.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.5 mm -68.96 -38.12 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -61.94 -55.36 30.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.773 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.2 t -56.61 -32.89 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.5 ttp -69.85 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 20.8 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.1 t -99.15 158.84 15.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.11 129.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 32.9 mm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.11 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -147.35 136.57 22.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -111.76 86.74 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.9 pt -129.62 100.81 19.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.823 ' HG2' HD11 ' A' ' 508' ' ' ILE . 41.4 Cg_endo -67.81 162.0 41.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.404 2.07 . . . . 0.0 112.376 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 496' ' ' HIS . 21.8 mm -78.59 159.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.605 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -136.51 81.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.734 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.2 p -134.46 130.04 36.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.0 t -78.83 111.58 20.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.12 -18.99 57.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.66 2.24 . . . . 0.0 112.824 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -50.04 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.0 p -115.99 -47.57 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.74 28.19 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.02 134.53 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 29.3 t -74.44 108.97 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -99.72 148.23 34.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.013 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.455 ' HD2' HG21 ' A' ' 510' ' ' THR . 97.2 Cg_endo -86.38 -38.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.871 2.381 . . . . 0.0 113.042 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -137.74 164.47 28.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.044 0.449 . . . . 0.0 111.549 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.823 HD11 ' HG2' ' A' ' 494' ' ' PRO . 3.2 mp -71.53 -20.36 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.122 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -51.02 62.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.455 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.845 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 505' ' ' LEU . 5.6 tp -60.42 -37.84 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 508' ' ' ILE . 44.2 mm-40 -65.24 -49.4 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.793 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.06 -31.91 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.9 -55.32 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.768 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.0 t -57.38 -30.74 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.66 11.67 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.314 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 t -99.17 157.99 15.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.581 ' O ' HG23 ' A' ' 519' ' ' ILE . 1.1 tp -70.31 112.66 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 515' ' ' VAL . 10.5 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.883 0.373 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -110.9 100.21 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -60.92 -178.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.92 104.27 55.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.32 164.34 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.41 2.073 . . . . 0.0 112.172 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.74 101.68 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.905 ' HB3' HD22 ' A' ' 511' ' ' LEU . 10.3 m80 -79.61 136.31 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.5 135.27 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.57 119.45 77.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -15.78 19.45 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.623 2.215 . . . . 0.0 112.996 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.8 -41.03 75.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 111.021 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.5 p -127.42 -44.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.41 33.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.15 134.48 33.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.57 122.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 4.3 mm? -108.0 127.02 28.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.51 -45.31 41.96 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.586 2.19 . . . . 0.0 112.879 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -151.86 -179.76 7.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.989 0.423 . . . . 0.0 111.687 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.4 OUTLIER -65.77 -43.14 93.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.2 OUTLIER -57.79 -47.95 81.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.907 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 513' ' ' ILE . 3.0 p -70.48 -32.82 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.204 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.4 tp -70.1 -38.02 75.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.73 -36.19 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 510' ' ' THR . 14.6 mt -71.77 -32.11 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -70.16 -55.27 9.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.426 HG23 HD12 ' A' ' 511' ' ' LEU . 24.8 t -58.71 -29.52 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.09 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.065 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -23.11 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.295 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.13 158.85 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 519' ' ' ILE . 0.6 OUTLIER -75.49 126.95 36.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.165 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.834 0.35 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 118.69 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -117.36 -37.55 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.46 81.37 24.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.48 168.01 19.2 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.529 2.153 . . . . 0.0 112.002 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.44 145.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.718 ' HB3' HD22 ' A' ' 511' ' ' LEU . 79.5 m-70 -135.97 127.5 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.569 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.67 133.72 49.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.7 121.13 83.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.739 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.22 -15.97 17.84 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -38.32 76.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.23 -45.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.6 31.7 1.91 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.8 134.69 34.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.3 t -74.22 120.01 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 506' ' ' PRO . 4.4 mm? -103.22 139.67 20.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.408 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 505' ' ' LEU . 33.8 Cg_exo -59.88 -52.06 4.94 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.604 2.202 . . . . 0.0 112.371 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.442 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 12.9 p-10 -157.28 -176.58 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.1 OUTLIER -58.41 -43.43 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 29.8 m-20 -57.93 -51.28 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.485 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 513' ' ' ILE . 7.3 p -70.75 -32.81 70.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.273 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 496' ' ' HIS . 7.8 tp -68.17 -37.9 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -38.18 90.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 513' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 510' ' ' THR . 7.1 mt -68.85 -34.49 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.342 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -70.35 -55.42 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.4 t -56.85 -29.53 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.418 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -46.26 73.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.372 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -89.48 -23.1 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.505 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.27 157.66 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.067 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.79 135.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.11 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.916 0.389 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 143.75 10.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -90.17 83.79 6.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.7 pt -117.14 122.02 31.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.32 153.47 22.1 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.537 HD12 ' H ' ' A' ' 495' ' ' ILE . 0.3 OUTLIER -93.94 150.92 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 38.9 m-70 -138.64 76.12 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.026 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -136.01 144.27 45.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.9 t -89.88 128.5 49.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.254 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.0 -20.56 11.51 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.454 2.103 . . . . 0.0 112.974 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.34 -52.48 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.567 -179.597 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.63 -47.15 3.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.27 26.03 4.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.387 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 135.06 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.0 t -73.88 104.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 1.2 mt -86.88 146.72 41.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.185 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.729 ' HD2' HG21 ' A' ' 510' ' ' THR . 49.1 Cg_endo -69.54 -41.56 4.44 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.424 2.083 . . . . 0.0 113.337 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.495 ' O ' HG22 ' A' ' 510' ' ' THR . 4.6 p-10 -140.97 173.37 11.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 112.112 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 495' ' ' ILE . 28.0 mm -72.41 -35.8 52.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.998 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.78 -47.6 82.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.729 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.9 OUTLIER -70.5 -32.89 70.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 179.072 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.9 tp -69.56 -40.0 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.8 mt -71.79 -33.53 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.797 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.69 -55.38 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.9 t -56.06 -35.85 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.7 tpp -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 22.04 15.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.18 157.72 16.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.3 tp -74.17 127.98 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 28.1 mt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.15 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 60.75 168.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.71 -176.07 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.4 pp -79.76 110.98 17.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.83 154.06 53.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.453 2.102 . . . . 0.0 112.354 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 506' ' ' PRO . 0.8 OUTLIER -102.89 134.4 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.67 ' HB3' HD22 ' A' ' 511' ' ' LEU . 43.0 m-70 -93.24 150.36 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 34.0 p -134.58 144.59 48.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' CYS . . . . . 0.506 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.0 t -78.46 110.33 13.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.737 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -13.3 37.2 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.511 2.14 . . . . 0.0 112.837 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -69.58 -54.71 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 111.017 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 25.9 p -110.26 -41.24 4.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.73 37.43 1.41 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.29 134.86 37.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 30.7 t -74.2 115.55 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 511' ' ' LEU . 4.3 mt -103.44 116.44 62.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.427 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.874 ' HD2' HG21 ' A' ' 510' ' ' THR . 93.1 Cg_exo -44.06 -48.59 9.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.848 2.366 . . . . 0.0 113.408 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.05 -177.65 5.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.755 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -69.79 -29.67 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.051 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.0 -51.22 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.874 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.5 t -70.82 -32.82 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.366 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 505' ' ' LEU . 6.7 tp -70.97 -39.19 72.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.989 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' GLN . . . . . 0.534 ' HG2' HG22 ' A' ' 508' ' ' ILE . 45.2 mm-40 -61.34 -52.08 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.86 -29.06 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -70.26 -55.48 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 511' ' ' LEU . 92.0 t -63.71 -29.65 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 ttt -54.39 -31.91 55.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.86 -17.34 11.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' CYS . . . . . 0.428 ' C ' HD12 ' A' ' 519' ' ' ILE . 3.3 t -99.26 119.77 38.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 111.269 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 519' ' ' ILE . 1.5 mp -148.44 131.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.187 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.827 0.346 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.82 82.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -176.97 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 30.7 mm -115.53 94.31 39.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' PRO . . . . . 0.408 ' HB2' HD11 ' A' ' 508' ' ' ILE . 51.6 Cg_exo -54.28 167.78 1.17 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.442 2.095 . . . . 0.0 112.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 495' ' ' ILE . 2.8 mp -97.01 154.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.797 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.2 OUTLIER -145.52 80.48 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 39.3 m -134.54 144.23 47.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.49 108.67 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.99 -13.35 39.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.657 2.238 . . . . 0.0 112.749 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -69.76 -54.32 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.082 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.5 -36.06 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 103.39 41.15 2.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.603 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.46 132.76 36.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.57 121.26 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.02 150.81 42.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.751 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.48 ' HD2' HG21 ' A' ' 510' ' ' THR . 1.9 Cg_endo -82.76 -37.6 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.934 2.423 . . . . 0.0 113.012 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -139.85 169.93 16.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.048 0.451 . . . . 0.0 111.692 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -73.13 -21.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.4 -51.18 62.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.981 0.419 . . . . 0.0 110.139 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.48 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.62 -35.97 73.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.832 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.797 HD22 ' HA ' ' A' ' 496' ' ' HIS . 4.9 tp -65.32 -39.66 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.624 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 508' ' ' ILE . 55.5 mm-40 -66.16 -48.32 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.788 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.15 -30.92 50.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -66.7 -55.23 16.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.8 t -57.58 -31.31 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -31.72 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -111.6 18.28 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 t -99.15 158.8 15.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 519' ' ' ILE . 12.4 tt -73.29 118.37 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.264 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 92.45 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -99.45 39.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.9 tp -136.33 133.52 19.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.76 167.89 23.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.485 2.123 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 505' ' ' LEU . 3.1 mt -122.82 148.45 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' HIS . . . . . 0.697 ' CB ' HD22 ' A' ' 511' ' ' LEU . 0.2 OUTLIER -134.54 86.24 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.682 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 35.9 p -78.64 144.94 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.2 112.13 23.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.981 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.49 -15.84 46.08 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.823 2.348 . . . . 0.0 113.283 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -69.7 -46.42 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.64 0.257 . . . . 0.0 111.286 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.4 -42.29 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.88 50.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.585 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.45 127.63 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.768 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.04 116.95 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.295 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -112.38 130.75 23.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' PRO . . . . . 0.407 ' HG2' HG21 ' A' ' 510' ' ' THR . 12.0 Cg_endo -55.15 -49.09 17.6 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.6 2.2 . . . . 0.0 113.027 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.531 ' O ' HG22 ' A' ' 510' ' ' THR . 1.2 p30 -130.01 -176.04 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.041 0.448 . . . . 0.0 111.89 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -80.78 -36.86 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.771 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.38 -43.27 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.016 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.968 HG23 HD12 ' A' ' 505' ' ' LEU . 14.6 t -70.32 -34.61 72.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.697 HD22 ' CB ' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -70.18 -38.56 75.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.822 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.44 -46.26 89.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.9 -32.99 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.41 -55.5 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.606 HG23 HD12 ' A' ' 511' ' ' LEU . 40.9 t -58.75 -29.56 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -106.51 15.23 26.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.281 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 31.0 t -99.23 157.99 16.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 519' ' ' ILE . 1.5 tt -70.21 117.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.171 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.99 ' CE1' HD12 ' A' ' 508' ' ' ILE . 70.9 m-70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 133.88 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 37.6 t -78.73 122.17 84.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.94 -15.82 12.96 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.557 2.171 . . . . 0.0 112.894 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.68 -34.07 73.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.2 p -136.73 -48.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 119.13 36.84 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.91 134.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.46 111.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 511' ' ' LEU . 5.3 mt -109.54 110.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.761 ' HD2' HG21 ' A' ' 510' ' ' THR . 18.8 Cg_endo -59.09 -33.22 98.44 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 0.0 113.079 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.406 ' O ' HG22 ' A' ' 510' ' ' THR . 4.2 p-10 -142.55 -179.86 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.458 . . . . 0.0 111.812 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.99 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -74.94 -37.73 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.5 -47.09 82.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.761 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.2 t -70.42 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.906 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.2 tp -70.52 -38.61 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.603 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.81 -48.78 77.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.46 -32.43 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -70.31 -55.51 8.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 511' ' ' LEU . 61.2 t -59.34 -30.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.79 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.34 22.39 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 179.841 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.709 ' HB3' HD22 ' A' ' 511' ' ' LEU . 83.3 m-70 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.813 0.339 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.2 p -134.47 138.69 44.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.74 121.32 83.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.72 -14.92 15.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.596 2.197 . . . . 0.0 113.054 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -69.7 -44.86 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.235 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.1 p -123.16 -41.83 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 114.08 29.27 2.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.51 134.61 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.27 118.23 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.6 mt -109.95 104.5 55.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.86 ' HD2' HG21 ' A' ' 510' ' ' THR . 91.4 Cg_exo -44.05 -39.69 11.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.837 2.358 . . . . 0.0 113.275 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 510' ' ' THR . 21.7 p30 -148.93 -177.05 5.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 111.767 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -69.08 -34.62 64.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.085 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.28 -50.53 72.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.551 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.86 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.3 t -70.44 -32.58 70.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 110.232 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.739 ' HA ' HD22 ' A' ' 505' ' ' LEU . 3.4 tp -70.2 -37.86 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.74 -45.6 81.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.51 -30.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.22 -55.32 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.9 t -59.24 -29.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.4 mmm -68.88 -29.77 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.34 22.26 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.297 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.967 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.755 ' HB3' HD22 ' A' ' 511' ' ' LEU . 89.0 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 54.1 p -134.74 135.54 41.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 41.0 t -78.62 117.88 69.06 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.68 -15.05 17.37 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.598 2.198 . . . . 0.0 112.999 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -39.41 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.155 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.14 -48.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.02 37.67 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 134.81 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.36 118.41 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.943 HD22 ' HA ' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.83 139.94 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.407 ' HG2' HG21 ' A' ' 510' ' ' THR . 88.4 Cg_endo -80.75 -33.38 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.562 2.175 . . . . 0.0 112.977 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -154.66 174.01 15.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.619 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 508' ' ' ILE . 0.3 OUTLIER -64.33 -43.08 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 1.2 t0 -57.58 -45.95 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.966 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 506' ' ' PRO . 2.8 p -70.57 -33.81 71.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.973 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.943 ' HA ' HD22 ' A' ' 505' ' ' LEU . 0.8 OUTLIER -69.82 -37.85 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.718 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.84 -40.62 89.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.9 -31.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -70.26 -55.42 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.43 -34.83 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.24 -31.94 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -23.1 14.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.818 ' HB3' HD22 ' A' ' 511' ' ' LEU . 2.0 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 52.3 p -129.76 136.64 49.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 36.9 t -78.63 111.21 17.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.32 -16.83 49.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.682 2.255 . . . . 0.0 112.877 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.74 -53.39 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -113.9 -40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.25 26.5 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.64 134.47 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.13 126.65 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.12 143.27 28.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.16 -47.14 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.468 2.112 . . . . 0.0 112.674 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -141.82 167.36 22.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 111.515 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 1.1 tt -60.61 -42.83 93.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.6 OUTLIER -57.67 -46.12 84.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.901 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.42 -34.9 73.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.116 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.0 tp -69.23 -37.86 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.7 -34.5 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.71 -41.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.87 -55.32 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.561 HG23 HD12 ' A' ' 511' ' ' LEU . 22.6 t -56.3 -29.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -35.07 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.81 22.27 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.949 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.83 ' HB3' HD22 ' A' ' 511' ' ' LEU . 22.6 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.854 0.359 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 43.5 p -134.57 142.36 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.72 110.89 15.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.521 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.14 -18.51 18.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.478 2.119 . . . . 0.0 112.827 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -41.99 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.342 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.64 -39.97 3.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 107.8 33.76 2.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -97.27 134.47 40.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.59 128.17 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.3 mt -116.24 122.11 32.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.81 ' HD2' HG21 ' A' ' 510' ' ' THR . 12.3 Cg_endo -56.59 -42.14 68.49 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.575 2.183 . . . . 0.0 112.974 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 510' ' ' THR . 21.6 p-10 -143.8 173.07 12.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.082 0.468 . . . . 0.0 111.795 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.82 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -65.13 -32.26 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.77 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -57.56 -50.61 72.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.81 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.6 t -70.45 -32.62 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.13 0.49 . . . . 0.0 110.269 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.4 tp -70.74 -37.84 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.818 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.98 -52.17 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.25 -30.83 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.758 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.1 -51.15 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 511' ' ' LEU . 24.1 t -66.55 -30.71 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -32.15 56.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.23 -20.28 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 111.216 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.844 ' HB3' HD22 ' A' ' 511' ' ' LEU . 37.6 m-70 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -134.56 138.31 44.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.52 109.74 11.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.74 -17.5 29.32 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.606 2.204 . . . . 0.0 112.669 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.411 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 21.1 p -127.13 -42.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 111.246 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.4 39.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.372 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.67 134.64 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.47 110.25 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 506' ' ' PRO . 3.6 mm? -89.55 132.15 37.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 505' ' ' LEU . 7.1 Cg_endo -51.17 -49.54 16.77 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.682 2.255 . . . . 0.0 112.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.43 177.8 9.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.567 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.689 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.6 OUTLIER -64.11 -44.03 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.378 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 12.7 m-20 -57.77 -48.76 78.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.944 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.52 -32.74 70.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.131 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.9 tp -69.83 -37.97 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.742 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -58.17 -39.96 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.71 -31.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.442 ' HB2' HD11 ' A' ' 505' ' ' LEU . 81.2 t60 -70.34 -55.41 9.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 511' ' ' LEU . 38.1 t -63.94 -29.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 25.4 ttt -55.7 -32.41 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.69 -23.08 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.371 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.269 -179.752 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.79 ' HB3' HD22 ' A' ' 511' ' ' LEU . 25.7 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 80.7 p -134.44 132.59 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.69 112.39 26.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.73 -17.65 60.17 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.719 2.28 . . . . 0.0 113.091 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -54.33 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.6 p -116.69 -42.05 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.95 27.08 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 134.6 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.817 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.66 113.42 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.15 141.56 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.81 -42.6 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.91 166.55 24.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 111.426 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.9 OUTLIER -59.65 -41.95 86.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 5.0 m-20 -57.87 -45.94 85.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.982 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.9 p -70.44 -34.34 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.5 tp -70.36 -37.82 74.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -62.56 -36.83 83.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 510' ' ' THR . 16.5 mt -70.78 -34.16 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.23 -54.13 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 511' ' ' LEU . 38.7 t -53.41 -46.76 58.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.441 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 18.6 ptm -60.65 -33.03 72.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.0 9.74 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.321 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.843 ' HB3' HD22 ' A' ' 511' ' ' LEU . 19.4 m-70 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.94 0.4 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.3 p -134.64 141.2 46.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.74 117.71 68.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.18 -15.24 18.34 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.542 2.162 . . . . 0.0 113.111 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -38.91 77.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -132.07 -49.77 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 121.65 67.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.32 134.8 54.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 0.0 110.58 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.18 123.71 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.78 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.1 mt -124.44 104.64 31.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.688 ' HD2' HG21 ' A' ' 510' ' ' THR . 80.5 Cg_exo -48.19 -38.55 33.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.837 2.358 . . . . 0.0 113.283 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -140.44 -179.11 5.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.171 0.51 . . . . 0.0 111.799 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.674 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.3 OUTLIER -74.98 -36.66 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.714 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -47.78 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.688 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.4 t -70.31 -32.74 70.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 110.011 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.843 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.5 tp -70.78 -37.83 73.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.779 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.13 -45.3 92.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.34 -33.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.32 -55.5 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 511' ' ' LEU . 40.3 t -58.65 -29.5 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -31.57 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.37 18.88 16.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.252 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.821 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.944 0.402 . . . . 0.0 110.677 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.45 141.66 46.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 122.4 76.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.23 -18.38 14.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.978 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -69.77 -34.97 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.178 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.38 -51.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.3 36.48 0.8 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -86.41 134.82 33.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.08 132.27 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.6 mt -121.18 158.48 52.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 510' ' ' THR . 95.2 Cg_endo -86.56 -37.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.815 2.344 . . . . 0.0 113.143 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.469 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.0 p-10 -152.03 179.21 8.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 31.0 mm -69.56 -41.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.983 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.94 -45.25 86.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.0 p -70.41 -34.92 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.909 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.813 ' HB2' HD13 ' A' ' 505' ' ' LEU . 1.6 tp -68.92 -37.84 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.606 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.58 -45.65 89.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.0 mt -61.46 -33.55 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.28 -55.24 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.1 t -57.81 -29.77 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.2 tpt -71.43 -31.85 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.92 14.67 22.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.628 ' CE1' HD12 ' A' ' 508' ' ' ILE . 33.0 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.931 0.396 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.64 144.27 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.724 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 514' ' ' HIS . 50.5 t -78.78 125.47 84.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.92 -16.42 8.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.72 2.28 . . . . 0.0 113.042 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -51.29 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.186 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.83 -43.11 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.93 29.57 2.36 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.589 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 132.91 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . 0.52 ' C ' HD22 ' A' ' 505' ' ' LEU . 21.5 t -80.33 120.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.929 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -116.57 111.47 41.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.27 -47.6 10.56 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.683 2.255 . . . . 0.0 113.084 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.534 ' O ' HG22 ' A' ' 510' ' ' THR . 16.6 p-10 -132.67 -176.05 3.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.093 0.473 . . . . 0.0 111.707 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.628 HD12 ' CE1' ' A' ' 496' ' ' HIS . 2.6 tt -80.65 -34.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.395 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.13 -46.69 82.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.562 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 505' ' ' LEU . 15.0 t -68.06 -33.18 74.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.133 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 511' ' ' LEU . 2.7 tm? -66.25 -48.2 71.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.831 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.82 -36.97 49.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.16 0.505 . . . . 0.0 109.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.4 mt -72.18 -29.57 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.615 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 498' ' ' CYS . 70.6 t60 -70.68 -55.45 8.69 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.891 0.377 . . . . 0.0 111.159 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.5 -29.58 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.358 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 39.7 ttp -68.52 -26.51 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.209 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.94 -23.15 12.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.32 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.668 ' CE1' HD11 ' A' ' 508' ' ' ILE . 45.6 m-70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.3 p -134.49 144.24 47.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.71 123.1 85.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.84 -15.31 13.41 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.613 2.209 . . . . 0.0 113.179 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -69.8 -52.84 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.228 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.8 -37.3 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.28 20.72 4.67 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.651 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 134.61 49.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . 0.54 ' C ' HD22 ' A' ' 505' ' ' LEU . 26.7 t -81.02 120.66 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.54 HD22 ' C ' ' A' ' 504' ' ' VAL . 3.1 mm? -110.24 139.92 21.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.32 -41.71 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.522 2.148 . . . . 0.0 112.842 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -141.83 171.36 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 111.446 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.668 HD11 ' CE1' ' A' ' 496' ' ' HIS . 29.9 mm -63.98 -36.93 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.94 -47.45 86.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.241 0.544 . . . . 0.0 109.732 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.8 p -70.42 -35.45 73.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.178 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 515' ' ' VAL . 5.5 tp -70.68 -37.83 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -62.38 -39.61 93.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.17 -40.23 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.38 -55.41 21.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.5 t -58.01 -29.61 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -34.47 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.77 22.31 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 8.3 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.6 p -134.64 125.21 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.52 112.79 29.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.383 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.58 -19.97 62.41 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.724 2.283 . . . . 0.0 113.056 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -69.75 -54.51 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.706 0.288 . . . . 0.0 111.294 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.17 -45.04 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.98 26.83 3.95 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.76 134.79 37.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.44 106.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.472 HD13 ' HD3' ' A' ' 506' ' ' PRO . 1.4 mm? -86.82 162.67 43.75 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.083 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.472 ' HD3' HD13 ' A' ' 505' ' ' LEU . 3.9 Cg_exo -74.55 -52.29 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.841 2.361 . . . . 0.0 112.44 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.439 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -147.26 175.4 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.4 -34.09 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.32 -50.95 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 109.831 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.7 p -70.6 -33.23 70.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.169 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 511' ' ' LEU . 8.6 tp -70.92 -37.84 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.619 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -39.3 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.38 -36.29 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.77 -52.11 58.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.3 -30.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -57.56 -32.86 67.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.07 -23.01 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.008 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 506' ' ' PRO . 9.6 m80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.872 0.368 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.4 p -134.75 121.28 20.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.64 122.33 84.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.25 -16.79 22.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.158 . . . . 0.0 113.025 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -69.81 -54.11 15.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -114.5 -45.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.141 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.48 12.71 7.9 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.769 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 134.64 47.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.56 108.56 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 2.7 mm? -85.61 164.65 39.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 510' ' ' THR . 71.8 Cg_endo -81.88 -48.29 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.458 2.106 . . . . 0.0 112.762 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -140.82 166.06 25.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.761 HD12 HD23 ' A' ' 511' ' ' LEU . 3.3 tp -59.88 -42.46 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.7 OUTLIER -57.7 -45.82 85.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.957 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 506' ' ' PRO . 2.9 p -70.52 -34.54 72.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.024 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.1 tp -69.91 -37.77 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.745 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.11 -45.98 91.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.5 mm -68.96 -38.12 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -61.94 -55.36 30.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.773 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.2 t -56.61 -32.89 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.5 ttp -69.85 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 20.8 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.605 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.84 0.352 . . . . 0.0 110.734 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.2 p -134.46 130.04 36.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.0 t -78.83 111.58 20.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.12 -18.99 57.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.66 2.24 . . . . 0.0 112.824 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -50.04 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.0 p -115.99 -47.57 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.74 28.19 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.02 134.53 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 29.3 t -74.44 108.97 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -99.72 148.23 34.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.013 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.455 ' HD2' HG21 ' A' ' 510' ' ' THR . 97.2 Cg_endo -86.38 -38.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.871 2.381 . . . . 0.0 113.042 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -137.74 164.47 28.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.044 0.449 . . . . 0.0 111.549 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 508' ' ' ILE . 3.2 mp -71.53 -20.36 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.122 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -51.02 62.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.455 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.845 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 505' ' ' LEU . 5.6 tp -60.42 -37.84 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 508' ' ' ILE . 44.2 mm-40 -65.24 -49.4 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.793 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.06 -31.91 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.9 -55.32 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.768 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.0 t -57.38 -30.74 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.66 11.67 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.314 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.905 ' HB3' HD22 ' A' ' 511' ' ' LEU . 12.2 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.871 0.367 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.5 135.27 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.57 119.45 77.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -15.78 19.45 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.623 2.215 . . . . 0.0 112.996 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.8 -41.03 75.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 111.021 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.5 p -127.42 -44.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.41 33.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.15 134.48 33.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.57 122.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 4.3 mm? -108.0 127.02 28.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.51 -45.31 41.96 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.586 2.19 . . . . 0.0 112.879 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.5 p-10 -151.86 -179.76 7.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.989 0.423 . . . . 0.0 111.687 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.536 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.4 OUTLIER -65.77 -43.14 93.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.2 OUTLIER -57.79 -47.95 81.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.907 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 513' ' ' ILE . 3.0 p -70.48 -32.82 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.204 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.4 tp -70.1 -38.02 75.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.73 -36.19 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 510' ' ' THR . 14.6 mt -71.77 -32.11 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -70.16 -55.27 9.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.426 HG23 HD12 ' A' ' 511' ' ' LEU . 24.8 t -58.71 -29.52 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.09 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.065 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -23.11 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.295 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -179.894 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.718 ' HB3' HD22 ' A' ' 511' ' ' LEU . 79.5 m-70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.67 133.72 49.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.7 121.13 83.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.739 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.22 -15.97 17.84 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -38.32 76.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.23 -45.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.6 31.7 1.91 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.8 134.69 34.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.3 t -74.22 120.01 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 506' ' ' PRO . 4.4 mm? -103.22 139.67 20.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.408 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 505' ' ' LEU . 33.8 Cg_exo -59.88 -52.06 4.94 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.604 2.202 . . . . 0.0 112.371 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.442 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 12.9 p-10 -157.28 -176.58 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.1 OUTLIER -58.41 -43.43 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 29.8 m-20 -57.93 -51.28 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.485 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 513' ' ' ILE . 7.3 p -70.75 -32.81 70.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.273 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 496' ' ' HIS . 7.8 tp -68.17 -37.9 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -38.18 90.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 510' ' ' THR . 7.1 mt -68.85 -34.49 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.342 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -70.35 -55.42 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.4 t -56.85 -29.53 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.418 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -46.26 73.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.372 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -89.48 -23.1 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.505 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.067 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 15.1 m80 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.816 0.341 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -136.01 144.27 45.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.9 t -89.88 128.5 49.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.254 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.0 -20.56 11.51 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.454 2.103 . . . . 0.0 112.974 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.34 -52.48 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.567 -179.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.63 -47.15 3.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.27 26.03 4.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.387 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 135.06 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.0 t -73.88 104.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 1.2 mt -86.88 146.72 41.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.185 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.729 ' HD2' HG21 ' A' ' 510' ' ' THR . 49.1 Cg_endo -69.54 -41.56 4.44 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.424 2.083 . . . . 0.0 113.337 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.495 ' O ' HG22 ' A' ' 510' ' ' THR . 4.6 p-10 -140.97 173.37 11.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 112.112 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 28.0 mm -72.41 -35.8 52.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.998 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.78 -47.6 82.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.729 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.9 OUTLIER -70.5 -32.89 70.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 179.072 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.9 tp -69.56 -40.0 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.8 mt -71.79 -33.53 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.797 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.69 -55.38 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.9 t -56.06 -35.85 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.7 tpp -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 22.04 15.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.876 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.67 ' HB3' HD22 ' A' ' 511' ' ' LEU . 43.0 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.899 0.381 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 34.0 p -134.58 144.59 48.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . 0.506 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.0 t -78.46 110.33 13.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.737 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -13.3 37.2 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.511 2.14 . . . . 0.0 112.837 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -69.58 -54.71 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 111.017 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 25.9 p -110.26 -41.24 4.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.73 37.43 1.41 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.29 134.86 37.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 30.7 t -74.2 115.55 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 511' ' ' LEU . 4.3 mt -103.44 116.44 62.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.427 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.874 ' HD2' HG21 ' A' ' 510' ' ' THR . 93.1 Cg_exo -44.06 -48.59 9.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.848 2.366 . . . . 0.0 113.408 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.05 -177.65 5.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.755 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -69.79 -29.67 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.051 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.0 -51.22 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.874 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.5 t -70.82 -32.82 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.366 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 505' ' ' LEU . 6.7 tp -70.97 -39.19 72.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.989 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . 0.534 ' HG2' HG22 ' A' ' 508' ' ' ILE . 45.2 mm-40 -61.34 -52.08 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.86 -29.06 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -70.26 -55.48 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 511' ' ' LEU . 92.0 t -63.71 -29.65 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 ttt -54.39 -31.91 55.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.86 -17.34 11.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 111.269 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.797 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 0.0 110.702 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 39.3 m -134.54 144.23 47.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.49 108.67 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.99 -13.35 39.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.657 2.238 . . . . 0.0 112.749 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -69.76 -54.32 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.082 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.5 -36.06 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 103.39 41.15 2.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.603 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.46 132.76 36.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.57 121.26 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.02 150.81 42.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.751 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.48 ' HD2' HG21 ' A' ' 510' ' ' THR . 1.9 Cg_endo -82.76 -37.6 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.934 2.423 . . . . 0.0 113.012 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.9 p30 -139.85 169.93 16.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.048 0.451 . . . . 0.0 111.692 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -73.13 -21.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.4 -51.18 62.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.981 0.419 . . . . 0.0 110.139 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.48 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.62 -35.97 73.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.832 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.797 HD22 ' HA ' ' A' ' 496' ' ' HIS . 4.9 tp -65.32 -39.66 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.624 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 508' ' ' ILE . 55.5 mm-40 -66.16 -48.32 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.788 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.15 -30.92 50.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -66.7 -55.23 16.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.8 t -57.58 -31.31 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -31.72 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -111.6 18.28 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' HIS . . . . . 0.697 ' CB ' HD22 ' A' ' 511' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.228 -0.072 0 CA-C-O 120.865 0.364 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 35.9 p -78.64 144.94 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.2 112.13 23.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.981 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.49 -15.84 46.08 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.823 2.348 . . . . 0.0 113.283 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -69.7 -46.42 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.64 0.257 . . . . 0.0 111.286 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.4 -42.29 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.88 50.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.585 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.45 127.63 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.768 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.04 116.95 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.295 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -112.38 130.75 23.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' PRO . . . . . 0.407 ' HG2' HG21 ' A' ' 510' ' ' THR . 12.0 Cg_endo -55.15 -49.09 17.6 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.6 2.2 . . . . 0.0 113.027 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.531 ' O ' HG22 ' A' ' 510' ' ' THR . 1.2 p30 -130.01 -176.04 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.041 0.448 . . . . 0.0 111.89 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -80.78 -36.86 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.771 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.38 -43.27 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.016 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' THR . . . . . 0.968 HG23 HD12 ' A' ' 505' ' ' LEU . 14.6 t -70.32 -34.61 72.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.697 HD22 ' CB ' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -70.18 -38.56 75.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.822 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.44 -46.26 89.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.9 -32.99 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.41 -55.5 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.606 HG23 HD12 ' A' ' 511' ' ' LEU . 40.9 t -58.75 -29.56 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -106.51 15.23 26.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.281 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.777 0.322 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -129.21 114.39 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.11 -177.96 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.5 80.22 16.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.38 148.59 41.48 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.578 2.185 . . . . 0.0 112.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 16.1 tt -130.04 131.25 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.99 ' CE1' HD12 ' A' ' 508' ' ' ILE . 70.9 m-70 -79.22 140.88 37.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 133.88 40.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 37.6 t -78.73 122.17 84.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.94 -15.82 12.96 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.557 2.171 . . . . 0.0 112.894 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -69.68 -34.07 73.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.75 0.31 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.2 p -136.73 -48.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 119.13 36.84 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.569 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.91 134.54 36.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.46 111.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 511' ' ' LEU . 5.3 mt -109.54 110.23 59.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.761 ' HD2' HG21 ' A' ' 510' ' ' THR . 18.8 Cg_endo -59.09 -33.22 98.44 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.668 2.245 . . . . 0.0 113.079 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.406 ' O ' HG22 ' A' ' 510' ' ' THR . 4.2 p-10 -142.55 -179.86 6.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.458 . . . . 0.0 111.812 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.99 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -74.94 -37.73 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.5 -47.09 82.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.761 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.2 t -70.42 -32.65 70.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.906 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.2 tp -70.52 -38.61 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.603 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.81 -48.78 77.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 5.2 mt -62.46 -32.43 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -70.31 -55.51 8.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.574 HG23 HD12 ' A' ' 511' ' ' LEU . 61.2 t -59.34 -30.87 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.79 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.34 22.39 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.04 157.94 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 519' ' ' ILE . 18.7 tt -68.91 116.99 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.121 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 59.94 165.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -62.1 171.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . 0.645 HG23 ' O ' ' A' ' 493' ' ' ILE . 0.9 OUTLIER -112.61 93.46 23.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.21 135.6 65.33 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.475 2.117 . . . . 0.0 112.25 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 tt -130.45 147.78 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.709 ' HB3' HD22 ' A' ' 511' ' ' LEU . 83.3 m-70 -119.04 146.38 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 66.2 p -134.47 138.69 44.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.785 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.74 121.32 83.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.72 -14.92 15.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.596 2.197 . . . . 0.0 113.054 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -69.7 -44.86 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.73 0.3 . . . . 0.0 111.235 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.1 p -123.16 -41.83 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 114.08 29.27 2.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.51 134.61 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.27 118.23 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.6 mt -109.95 104.5 55.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.86 ' HD2' HG21 ' A' ' 510' ' ' THR . 91.4 Cg_exo -44.05 -39.69 11.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.837 2.358 . . . . 0.0 113.275 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.416 ' O ' HG22 ' A' ' 510' ' ' THR . 21.7 p30 -148.93 -177.05 5.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 111.767 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -69.08 -34.62 64.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.085 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.28 -50.53 72.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.551 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.86 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.3 t -70.44 -32.58 70.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.098 0.475 . . . . 0.0 110.232 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.739 ' HA ' HD22 ' A' ' 505' ' ' LEU . 3.4 tp -70.2 -37.86 75.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.74 -45.6 81.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 47.0 mt -70.51 -30.36 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.994 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.22 -55.32 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.9 t -59.24 -29.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.4 mmm -68.88 -29.77 68.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -118.34 22.26 12.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.297 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 47.9 t -99.11 156.72 16.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.967 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 5.1 tp -70.41 138.52 21.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.041 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.754 0.312 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.03 166.76 16.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -156.93 -44.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 506' ' ' PRO . 3.2 mp -87.06 111.67 42.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.87 163.55 21.74 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.526 2.151 . . . . 0.0 112.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 32.1 mm -108.52 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.755 ' HB3' HD22 ' A' ' 511' ' ' LEU . 89.0 m-70 -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 54.1 p -134.74 135.54 41.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 41.0 t -78.62 117.88 69.06 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.773 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.68 -15.05 17.37 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.598 2.198 . . . . 0.0 112.999 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -39.41 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.155 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.14 -48.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.02 37.67 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 134.81 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.522 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 t -74.36 118.41 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.943 HD22 ' HA ' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.83 139.94 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.522 ' O ' HG22 ' A' ' 493' ' ' ILE . 88.4 Cg_endo -80.75 -33.38 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.562 2.175 . . . . 0.0 112.977 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -154.66 174.01 15.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.619 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 508' ' ' ILE . 0.3 OUTLIER -64.33 -43.08 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 1.2 t0 -57.58 -45.95 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.966 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 506' ' ' PRO . 2.8 p -70.57 -33.81 71.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.973 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.943 ' HA ' HD22 ' A' ' 505' ' ' LEU . 0.8 OUTLIER -69.82 -37.85 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.718 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.84 -40.62 89.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.9 -31.77 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -70.26 -55.42 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.43 -34.83 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tpt -60.24 -31.94 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -23.1 14.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.083 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.21 158.81 30.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 519' ' ' ILE . 1.1 tt -72.12 114.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.208 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.874 0.369 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.02 177.84 3.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -102.74 -168.47 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.685 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . 0.654 ' H ' HD13 ' A' ' 493' ' ' ILE . 0.2 OUTLIER -118.83 146.06 39.22 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.093 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.48 151.5 53.36 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.588 2.192 . . . . 0.0 112.409 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 1.6 mp -125.66 144.68 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.025 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.818 ' HB3' HD22 ' A' ' 511' ' ' LEU . 2.0 m-70 -102.23 147.72 26.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 52.3 p -129.76 136.64 49.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 36.9 t -78.63 111.21 17.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.32 -16.83 49.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.682 2.255 . . . . 0.0 112.877 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.74 -53.39 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -113.9 -40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.25 26.5 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.64 134.47 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.13 126.65 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.12 143.27 28.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.16 -47.14 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.468 2.112 . . . . 0.0 112.674 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -141.82 167.36 22.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.06 0.457 . . . . 0.0 111.515 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 1.1 tt -60.61 -42.83 93.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.6 OUTLIER -57.67 -46.12 84.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.901 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 2.9 p -70.42 -34.9 73.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.116 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.818 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.0 tp -69.23 -37.86 78.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.735 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.7 -34.5 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.71 -41.67 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.87 -55.32 27.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.561 HG23 HD12 ' A' ' 511' ' ' LEU . 22.6 t -56.3 -29.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -35.07 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.81 22.27 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 35.9 t -99.14 158.5 15.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 519' ' ' ILE . 6.9 tp -67.57 119.67 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.164 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.37 40.02 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -74.07 -177.7 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 10.0 pt -83.27 152.35 64.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.24 136.55 31.99 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.62 2.213 . . . . 0.0 112.332 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.4 126.84 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.83 ' HB3' HD22 ' A' ' 511' ' ' LEU . 22.6 m-70 -96.69 147.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 43.5 p -134.57 142.36 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.023 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.72 110.89 15.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.521 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.14 -18.51 18.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.478 2.119 . . . . 0.0 112.827 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 519' ' ' ILE . 0.0 OUTLIER -69.73 -41.99 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.342 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.64 -39.97 3.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 107.8 33.76 2.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -97.27 134.47 40.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.59 128.17 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.3 mt -116.24 122.11 32.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.81 ' HD2' HG21 ' A' ' 510' ' ' THR . 12.3 Cg_endo -56.59 -42.14 68.49 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.575 2.183 . . . . 0.0 112.974 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 510' ' ' THR . 21.6 p-10 -143.8 173.07 12.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.082 0.468 . . . . 0.0 111.795 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.82 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -65.13 -32.26 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.77 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -57.56 -50.61 72.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.81 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.6 t -70.45 -32.62 70.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.13 0.49 . . . . 0.0 110.269 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.4 tp -70.74 -37.84 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.818 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.98 -52.17 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 15.7 mt -66.25 -30.83 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.758 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -68.1 -51.15 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 511' ' ' LEU . 24.1 t -66.55 -30.71 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -32.15 56.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.23 -20.28 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 2.1 t -99.02 119.73 38.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 500' ' ' LYS . 2.3 mt -152.7 150.99 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.332 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.801 0.334 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -96.75 -173.23 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -58.83 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.3 pt -112.87 85.48 7.8 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.01 147.14 67.02 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.607 2.205 . . . . 0.0 112.374 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 495' ' ' ILE . 0.8 OUTLIER -105.58 125.23 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.844 ' HB3' HD22 ' A' ' 511' ' ' LEU . 37.6 m-70 -88.68 144.67 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -134.56 138.31 44.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.52 109.74 11.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.74 -17.5 29.32 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.606 2.204 . . . . 0.0 112.669 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 519' ' ' ILE . 0.8 OUTLIER -69.68 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.411 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 21.1 p -127.13 -42.16 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 111.246 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.4 39.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.372 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -104.67 134.64 47.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.47 110.25 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 506' ' ' PRO . 3.6 mm? -89.55 132.15 37.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 505' ' ' LEU . 7.1 Cg_endo -51.17 -49.54 16.77 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.682 2.255 . . . . 0.0 112.868 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -151.43 177.8 9.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.567 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.689 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.6 OUTLIER -64.11 -44.03 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.378 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 12.7 m-20 -57.77 -48.76 78.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.944 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 3.0 p -70.52 -32.74 70.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.131 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.844 HD22 ' HB3' ' A' ' 496' ' ' HIS . 3.9 tp -69.83 -37.97 76.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.742 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -58.17 -39.96 80.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.766 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.9 mt -71.71 -31.41 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.442 ' HB2' HD11 ' A' ' 505' ' ' LEU . 81.2 t60 -70.34 -55.41 9.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 511' ' ' LEU . 38.1 t -63.94 -29.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 25.4 ttt -55.7 -32.41 63.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.69 -23.08 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.371 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.16 119.83 26.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.269 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 500' ' ' LYS . 3.9 mt -152.52 111.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.351 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.824 0.345 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 492' ' ' ASN . 4.3 mtt85 -123.87 140.75 52.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 491' ' ' ARG . 3.8 m-20 65.21 -72.41 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.29 102.42 53.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.243 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 151.8 27.4 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.474 2.116 . . . . 0.0 112.096 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.638 HD11 HG13 ' A' ' 504' ' ' VAL . 8.6 tt -132.77 135.08 57.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.244 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.79 ' HB3' HD22 ' A' ' 511' ' ' LEU . 25.7 m-70 -100.27 146.01 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 80.7 p -134.44 132.59 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.69 112.39 26.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.73 -17.65 60.17 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.719 2.28 . . . . 0.0 113.091 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -54.33 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 111.161 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.6 p -116.69 -42.05 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.95 27.08 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.95 134.6 44.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 110.817 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . 0.638 HG13 HD11 ' A' ' 495' ' ' ILE . 21.4 t -74.66 113.42 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.15 141.56 22.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.81 -42.6 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.606 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -143.91 166.55 24.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 111.426 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 509' ' ' ASP . 0.9 OUTLIER -59.65 -41.95 86.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 5.0 m-20 -57.87 -45.94 85.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.982 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.9 p -70.44 -34.34 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.5 tp -70.36 -37.82 74.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -62.56 -36.83 83.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 510' ' ' THR . 16.5 mt -70.78 -34.16 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.23 -54.13 14.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 511' ' ' LEU . 38.7 t -53.41 -46.76 58.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.441 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 18.6 ptm -60.65 -33.03 72.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.0 9.74 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.321 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 28.7 t -99.24 158.02 15.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 519' ' ' ILE . 0.9 OUTLIER -74.53 113.38 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.124 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.785 0.326 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -141.7 174.29 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.69 42.09 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.4 mp -111.94 101.44 51.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.41 155.93 68.3 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.345 2.03 . . . . 0.0 112.153 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 31.2 mm -133.33 131.28 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.843 ' HB3' HD22 ' A' ' 511' ' ' LEU . 19.4 m-70 -135.56 140.12 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.595 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.3 p -134.64 141.2 46.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.8 t -78.74 117.71 68.17 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.18 -15.24 18.34 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.542 2.162 . . . . 0.0 113.111 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -38.91 77.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -132.07 -49.77 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 121.65 67.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.345 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.32 134.8 54.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 0.0 110.58 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.18 123.71 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.78 HD22 ' HA ' ' A' ' 511' ' ' LEU . 5.1 mt -124.44 104.64 31.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.688 ' HD2' HG21 ' A' ' 510' ' ' THR . 80.5 Cg_exo -48.19 -38.55 33.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.837 2.358 . . . . 0.0 113.283 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -140.44 -179.11 5.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.171 0.51 . . . . 0.0 111.799 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.674 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.3 OUTLIER -74.98 -36.66 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.714 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.35 -47.78 80.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.688 HG21 ' HD2' ' A' ' 506' ' ' PRO . 1.4 t -70.31 -32.74 70.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 110.011 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.843 HD22 ' HB3' ' A' ' 496' ' ' HIS . 1.5 tp -70.78 -37.83 73.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.779 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.13 -45.3 92.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.34 -33.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -70.32 -55.5 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 511' ' ' LEU . 40.3 t -58.65 -29.5 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -31.57 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.37 18.88 16.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.252 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 49.7 t -99.18 156.9 16.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 519' ' ' ILE . 0.9 OUTLIER -68.87 111.16 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.277 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -158.1 122.71 4.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.69 133.71 55.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 494' ' ' PRO . 2.7 pp -130.5 153.66 81.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.57 ' O ' HD12 ' A' ' 493' ' ' ILE . 37.1 Cg_endo -65.82 163.48 30.55 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.591 2.194 . . . . 0.0 112.191 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 495' ' ' ILE . 2.2 mp -109.55 146.65 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 0.9 OUTLIER -145.55 77.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.677 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.45 141.66 46.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.003 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 122.4 76.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.23 -18.38 14.25 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.978 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -69.77 -34.97 74.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.718 0.294 . . . . 0.0 111.178 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.38 -51.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 120.3 36.48 0.8 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -86.41 134.82 33.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.08 132.27 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 3.6 mt -121.18 158.48 52.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 510' ' ' THR . 95.2 Cg_endo -86.56 -37.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.815 2.344 . . . . 0.0 113.143 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.469 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.0 p-10 -152.03 179.21 8.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 511' ' ' LEU . 31.0 mm -69.56 -41.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.983 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.94 -45.25 86.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 109.803 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 513' ' ' ILE . 2.0 p -70.41 -34.92 73.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.909 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.813 ' HB2' HD13 ' A' ' 505' ' ' LEU . 1.6 tp -68.92 -37.84 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.606 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -63.58 -45.65 89.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.0 mt -61.46 -33.55 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.28 -55.24 9.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.1 t -57.81 -29.77 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.2 tpt -71.43 -31.85 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.92 14.67 22.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.329 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 48.7 t -99.24 156.81 16.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.9 tt -70.99 128.18 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 29.1 mm . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.039 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.816 0.341 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.81 133.01 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -61.31 140.62 57.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 493' ' ' ILE . 1.1 pp -130.53 80.22 70.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.54 151.56 30.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.505 2.137 . . . . 0.0 112.298 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 496' ' ' HIS . 31.4 mt -73.33 157.88 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.628 ' CE1' HD12 ' A' ' 508' ' ' ILE . 33.0 m-70 -88.63 129.86 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.64 144.27 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.724 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 514' ' ' HIS . 50.5 t -78.78 125.47 84.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.78 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.92 -16.42 8.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.72 2.28 . . . . 0.0 113.042 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.445 ' HE2' HG23 ' A' ' 520' ' ' ILE . 0.0 OUTLIER -69.86 -51.29 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.186 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.83 -43.11 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.179 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.93 29.57 2.36 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.589 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 132.91 41.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . 0.52 ' C ' HD22 ' A' ' 505' ' ' LEU . 21.5 t -80.33 120.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.929 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -116.57 111.47 41.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.27 -47.6 10.56 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.683 2.255 . . . . 0.0 113.084 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.534 ' O ' HG22 ' A' ' 510' ' ' THR . 16.6 p-10 -132.67 -176.05 3.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.093 0.473 . . . . 0.0 111.707 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.628 HD12 ' CE1' ' A' ' 496' ' ' HIS . 2.6 tt -80.65 -34.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.395 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -57.13 -46.69 82.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.562 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.929 HG23 HD12 ' A' ' 505' ' ' LEU . 15.0 t -68.06 -33.18 74.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.133 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 511' ' ' LEU . 2.7 tm? -66.25 -48.2 71.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.831 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -51.82 -36.97 49.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.16 0.505 . . . . 0.0 109.902 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 510' ' ' THR . 8.4 mt -72.18 -29.57 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.615 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 498' ' ' CYS . 70.6 t60 -70.68 -55.45 8.69 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 120.891 0.377 . . . . 0.0 111.159 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.5 -29.58 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.358 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 39.7 ttp -68.52 -26.51 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.209 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.94 -23.15 12.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.32 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 151.03 35.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 110.987 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.3 tp -67.7 143.33 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.445 HG23 ' HE2' ' A' ' 500' ' ' LYS . 32.3 mt . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -147.2 97.81 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.99 103.84 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.805 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.5 pt -130.89 105.68 15.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.69 143.06 60.51 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.457 2.105 . . . . 0.0 112.196 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.01 144.21 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.668 ' CE1' HD11 ' A' ' 508' ' ' ILE . 45.6 m-70 -114.05 145.34 41.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.3 p -134.49 144.24 47.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.71 123.1 85.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.84 -15.31 13.41 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.613 2.209 . . . . 0.0 113.179 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 9.3 mmtm -69.8 -52.84 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 0.0 111.228 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 4.2 p -116.8 -37.3 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.28 20.72 4.67 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.651 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 134.61 49.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . 0.54 ' C ' HD22 ' A' ' 505' ' ' LEU . 26.7 t -81.02 120.66 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.54 HD22 ' C ' ' A' ' 504' ' ' VAL . 3.1 mm? -110.24 139.92 21.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.32 -41.71 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.522 2.148 . . . . 0.0 112.842 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -141.83 171.36 14.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.01 0.433 . . . . 0.0 111.446 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.668 HD11 ' CE1' ' A' ' 496' ' ' HIS . 29.9 mm -63.98 -36.93 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.0 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.94 -47.45 86.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.241 0.544 . . . . 0.0 109.732 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.8 p -70.42 -35.45 73.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.178 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 515' ' ' VAL . 5.5 tp -70.68 -37.83 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -62.38 -39.61 93.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 18.5 mt -67.17 -40.23 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.38 -55.41 21.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.5 t -58.01 -29.61 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -34.47 75.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.77 22.31 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 53.7 t -92.2 156.32 17.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 519' ' ' ILE . 3.8 tp -70.95 105.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 10.1 pt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.124 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.834 0.35 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -108.23 90.17 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -95.89 170.82 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 43.9 pt -106.74 148.32 36.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.94 149.84 53.97 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.547 2.165 . . . . 0.0 112.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 496' ' ' HIS . 3.2 mp -108.92 157.65 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 507' ' ' ASP . 8.3 m80 -145.53 76.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 10.6 p -134.64 125.21 26.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.333 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.52 112.79 29.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.383 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.58 -19.97 62.41 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.724 2.283 . . . . 0.0 113.056 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -69.75 -54.51 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.706 0.288 . . . . 0.0 111.294 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 7.5 p -114.17 -45.04 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.98 26.83 3.95 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.76 134.79 37.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.44 106.1 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.472 HD13 ' HD3' ' A' ' 506' ' ' PRO . 1.4 mm? -86.82 162.67 43.75 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.083 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.472 ' HD3' HD13 ' A' ' 505' ' ' LEU . 3.9 Cg_exo -74.55 -52.29 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.841 2.361 . . . . 0.0 112.44 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.439 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.0 OUTLIER -147.26 175.4 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.4 -34.09 67.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.32 -50.95 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 109.831 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . . . . . . . . . 1.7 p -70.6 -33.23 70.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.169 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 511' ' ' LEU . 8.6 tp -70.92 -37.84 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.619 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -39.3 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 30.4 mm -70.38 -36.29 66.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.77 -52.11 58.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 34.2 t -67.3 -30.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.075 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -57.56 -32.86 67.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.07 -23.01 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.24 139.84 30.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.1 mt -152.29 150.96 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.513 HG22 ' OXT' ' A' ' 520' ' ' ILE . 50.2 mm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.782 0.325 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 144.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -110.14 -31.08 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 3.7 mp -118.2 94.62 47.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.71 139.93 49.75 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.471 2.114 . . . . 0.0 112.271 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 20.9 mm -116.5 141.98 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 506' ' ' PRO . 9.6 m80 -134.25 76.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 25.4 p -134.75 121.28 20.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.64 122.33 84.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.25 -16.79 22.07 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.536 2.158 . . . . 0.0 113.025 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -69.81 -54.11 15.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -114.5 -45.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.141 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 117.48 12.71 7.9 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.769 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 134.64 47.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.826 0.346 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.56 108.56 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 2.7 mm? -85.61 164.65 39.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 510' ' ' THR . 71.8 Cg_endo -81.88 -48.29 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.458 2.106 . . . . 0.0 112.762 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -140.82 166.06 25.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.47 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.761 HD12 HD23 ' A' ' 511' ' ' LEU . 3.3 tp -59.88 -42.46 89.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.7 OUTLIER -57.7 -45.82 85.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.957 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 506' ' ' PRO . 2.9 p -70.52 -34.54 72.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.024 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.1 tp -69.91 -37.77 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.745 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -62.11 -45.98 91.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 33.5 mm -68.96 -38.12 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -61.94 -55.36 30.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.773 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.2 t -56.61 -32.89 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.5 ttp -69.85 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.68 20.8 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.1 t -99.15 158.84 15.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.11 129.57 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 32.9 mm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.11 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -147.35 136.57 22.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -111.76 86.74 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.9 pt -129.62 100.81 19.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.823 ' HG2' HD11 ' A' ' 508' ' ' ILE . 41.4 Cg_endo -67.81 162.0 41.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.404 2.07 . . . . 0.0 112.376 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 496' ' ' HIS . 21.8 mm -78.59 159.94 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.605 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -136.51 81.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.734 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 5.2 p -134.46 130.04 36.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.0 t -78.83 111.58 20.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.12 -18.99 57.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.66 2.24 . . . . 0.0 112.824 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -50.04 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 111.204 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 3.0 p -115.99 -47.57 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.953 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.74 28.19 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.02 134.53 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.836 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 29.3 t -74.44 108.97 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -99.72 148.23 34.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.013 -179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.455 ' HD2' HG21 ' A' ' 510' ' ' THR . 97.2 Cg_endo -86.38 -38.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.871 2.381 . . . . 0.0 113.042 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -137.74 164.47 28.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.044 0.449 . . . . 0.0 111.549 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.823 HD11 ' HG2' ' A' ' 494' ' ' PRO . 3.2 mp -71.53 -20.36 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.122 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -51.02 62.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.455 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.845 179.05 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.894 HD13 HD13 ' A' ' 505' ' ' LEU . 5.6 tp -60.42 -37.84 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 508' ' ' ILE . 44.2 mm-40 -65.24 -49.4 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.793 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.06 -31.91 55.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -66.9 -55.32 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.768 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 511' ' ' LEU . 26.0 t -57.38 -30.74 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -30.35 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.66 11.67 24.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.314 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 t -99.17 157.99 15.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.581 ' O ' HG23 ' A' ' 519' ' ' ILE . 1.1 tp -70.31 112.66 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.019 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.622 HD11 ' O ' ' A' ' 515' ' ' VAL . 10.5 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.883 0.373 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -110.9 100.21 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -60.92 -178.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.92 104.27 55.9 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.32 164.34 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.41 2.073 . . . . 0.0 112.172 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.74 101.68 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.905 ' HB3' HD22 ' A' ' 511' ' ' LEU . 12.2 m-70 -79.61 136.31 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.5 135.27 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.57 119.45 77.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.52 -15.78 19.45 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.623 2.215 . . . . 0.0 112.996 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.8 -41.03 75.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 111.021 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.5 p -127.42 -44.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.41 33.03 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -87.15 134.48 33.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.57 122.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 511' ' ' LEU . 4.3 mm? -108.0 127.02 28.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.51 -45.31 41.96 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.586 2.19 . . . . 0.0 112.879 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 4.5 p-10 -151.86 -179.76 7.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.989 0.423 . . . . 0.0 111.687 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.536 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.4 OUTLIER -65.77 -43.14 93.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.281 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 0.2 OUTLIER -57.79 -47.95 81.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.907 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 513' ' ' ILE . 3.0 p -70.48 -32.82 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.204 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 496' ' ' HIS . 2.4 tp -70.1 -38.02 75.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.73 -36.19 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 510' ' ' THR . 14.6 mt -71.77 -32.11 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -70.16 -55.27 9.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.426 HG23 HD12 ' A' ' 511' ' ' LEU . 24.8 t -58.71 -29.52 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -39.09 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.065 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -23.11 17.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.295 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.13 158.85 21.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 519' ' ' ILE . 0.6 OUTLIER -75.49 126.95 36.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.165 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.834 0.35 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 118.69 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -117.36 -37.55 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.46 81.37 24.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.48 168.01 19.2 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.529 2.153 . . . . 0.0 112.002 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.44 145.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.718 ' HB3' HD22 ' A' ' 511' ' ' LEU . 79.5 m-70 -135.97 127.5 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.569 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.67 133.72 49.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.028 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.7 121.13 83.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.739 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.22 -15.97 17.84 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.593 2.195 . . . . 0.0 113.01 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.88 -38.32 76.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.694 0.283 . . . . 0.0 111.085 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.8 p -131.23 -45.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 115.6 31.7 1.91 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.8 134.69 34.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.3 t -74.22 120.01 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 506' ' ' PRO . 4.4 mm? -103.22 139.67 20.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.408 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 505' ' ' LEU . 33.8 Cg_exo -59.88 -52.06 4.94 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.604 2.202 . . . . 0.0 112.371 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.442 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 12.9 p-10 -157.28 -176.58 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.478 HD12 ' CE1' ' A' ' 496' ' ' HIS . 0.1 OUTLIER -58.41 -43.43 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . 0.443 ' N ' ' CG2' ' A' ' 508' ' ' ILE . 29.8 m-20 -57.93 -51.28 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.485 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 513' ' ' ILE . 7.3 p -70.75 -32.81 70.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.273 179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 496' ' ' HIS . 7.8 tp -68.17 -37.9 81.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -38.18 90.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.026 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 510' ' ' THR . 7.1 mt -68.85 -34.49 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.342 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -70.35 -55.42 9.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 511' ' ' LEU . 23.4 t -56.85 -29.53 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.418 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -46.26 73.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.372 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -89.48 -23.1 22.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.505 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.27 157.66 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.067 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.4 tt -70.79 135.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.11 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.916 0.389 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.47 143.75 10.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -90.17 83.79 6.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.7 pt -117.14 122.02 31.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.32 153.47 22.1 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.487 2.125 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.537 HD12 ' H ' ' A' ' 495' ' ' ILE . 0.3 OUTLIER -93.94 150.92 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 505' ' ' LEU . 15.1 m80 -138.64 76.12 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.026 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 53.0 p -136.01 144.27 45.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.496 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.9 t -89.88 128.5 49.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.254 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -78.0 -20.56 11.51 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.454 2.103 . . . . 0.0 112.974 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.34 -52.48 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.567 -179.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.63 -47.15 3.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 113.27 26.03 4.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.387 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 135.06 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 26.0 t -73.88 104.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.813 HD13 ' HB2' ' A' ' 511' ' ' LEU . 1.2 mt -86.88 146.72 41.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.185 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.729 ' HD2' HG21 ' A' ' 510' ' ' THR . 49.1 Cg_endo -69.54 -41.56 4.44 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.424 2.083 . . . . 0.0 113.337 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.495 ' O ' HG22 ' A' ' 510' ' ' THR . 4.6 p-10 -140.97 173.37 11.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.049 0.452 . . . . 0.0 112.112 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 495' ' ' ILE . 28.0 mm -72.41 -35.8 52.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.998 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.78 -47.6 82.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.028 0.442 . . . . 0.0 110.156 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.729 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.9 OUTLIER -70.5 -32.89 70.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 179.072 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 515' ' ' VAL . 2.9 tp -69.56 -40.0 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.601 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.94 -46.35 85.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.402 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.8 mt -71.79 -33.53 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.797 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -65.69 -55.38 17.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 511' ' ' LEU . 21.9 t -56.06 -35.85 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.178 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.7 tpp -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 22.04 15.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.18 157.72 16.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.876 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 7.3 tp -74.17 127.98 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 28.1 mt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.15 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 16.5 mtt-85 60.75 168.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.71 -176.07 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 1.4 pp -79.76 110.98 17.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.83 154.06 53.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.453 2.102 . . . . 0.0 112.354 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 506' ' ' PRO . 0.8 OUTLIER -102.89 134.4 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.67 ' HB3' HD22 ' A' ' 511' ' ' LEU . 43.0 m-70 -93.24 150.36 20.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 34.0 p -134.58 144.59 48.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . 0.506 ' HB2' HD11 ' A' ' 505' ' ' LEU . 40.0 t -78.46 110.33 13.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.737 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -13.3 37.2 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.511 2.14 . . . . 0.0 112.837 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -69.58 -54.71 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 111.017 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 25.9 p -110.26 -41.24 4.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 112.73 37.43 1.41 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.29 134.86 37.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 30.7 t -74.2 115.55 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 511' ' ' LEU . 4.3 mt -103.44 116.44 62.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.427 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.874 ' HD2' HG21 ' A' ' 510' ' ' THR . 93.1 Cg_exo -44.06 -48.59 9.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.848 2.366 . . . . 0.0 113.408 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -145.05 -177.65 5.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.022 0.439 . . . . 0.0 111.755 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -69.79 -29.67 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.051 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.0 -51.22 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.874 HG21 ' HD2' ' A' ' 506' ' ' PRO . 2.5 t -70.82 -32.82 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.366 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 505' ' ' LEU . 6.7 tp -70.97 -39.19 72.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.989 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . 0.534 ' HG2' HG22 ' A' ' 508' ' ' ILE . 45.2 mm-40 -61.34 -52.08 66.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.86 -29.06 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -70.26 -55.48 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.647 HG23 HD12 ' A' ' 511' ' ' LEU . 92.0 t -63.71 -29.65 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 ttt -54.39 -31.91 55.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.86 -17.34 11.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . 0.428 ' C ' HD12 ' A' ' 519' ' ' ILE . 3.3 t -99.26 119.77 38.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 111.269 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 519' ' ' ILE . 1.5 mp -148.44 131.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.187 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.827 0.346 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.82 82.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -176.97 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 30.7 mm -115.53 94.31 39.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . 0.408 ' HB2' HD11 ' A' ' 508' ' ' ILE . 51.6 Cg_exo -54.28 167.78 1.17 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.442 2.095 . . . . 0.0 112.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 495' ' ' ILE . 2.8 mp -97.01 154.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.797 ' HA ' HD22 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -145.52 80.48 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 39.3 m -134.54 144.23 47.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 52.7 t -95.49 108.67 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.99 -13.35 39.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.657 2.238 . . . . 0.0 112.749 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -69.76 -54.32 14.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 111.082 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 2.7 p -114.5 -36.06 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 103.39 41.15 2.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.603 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.46 132.76 36.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.9 t -74.57 121.26 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 511' ' ' LEU . 0.9 OUTLIER -111.02 150.81 42.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.751 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.48 ' HD2' HG21 ' A' ' 510' ' ' THR . 1.9 Cg_endo -82.76 -37.6 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.934 2.423 . . . . 0.0 113.012 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 496' ' ' HIS . 1.9 p30 -139.85 169.93 16.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.048 0.451 . . . . 0.0 111.692 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 508' ' ' ILE . 4.1 mp -73.13 -21.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.4 -51.18 62.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.981 0.419 . . . . 0.0 110.139 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.48 HG21 ' HD2' ' A' ' 506' ' ' PRO . 0.4 OUTLIER -70.62 -35.97 73.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.832 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.797 HD22 ' HA ' ' A' ' 496' ' ' HIS . 4.9 tp -65.32 -39.66 92.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.624 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 508' ' ' ILE . 55.5 mm-40 -66.16 -48.32 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.788 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.15 -30.92 50.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -66.7 -55.23 16.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 511' ' ' LEU . 25.8 t -57.58 -31.31 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -31.72 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -111.6 18.28 19.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 t -99.15 158.8 15.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 519' ' ' ILE . 12.4 tt -73.29 118.37 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.264 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 92.45 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -99.45 39.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' ILE . . . . . . . . . . . . . 2.9 tp -136.33 133.52 19.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.76 167.89 23.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.485 2.123 . . . . 0.0 112.16 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 505' ' ' LEU . 3.1 mt -122.82 148.45 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' HIS . . . . . 0.697 ' CB ' HD22 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -134.54 86.24 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.682 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 35.9 p -78.64 144.94 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.2 112.13 23.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.981 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.49 -15.84 46.08 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.823 2.348 . . . . 0.0 113.283 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -69.7 -46.42 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.64 0.257 . . . . 0.0 111.286 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' CYS . . . . . . . . . . . . . 1.9 p -116.4 -42.29 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 110.88 50.59 0.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.585 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -106.45 127.63 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.768 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.04 116.95 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.295 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 510' ' ' THR . 4.0 mm? -112.38 130.75 23.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' PRO . . . . . 0.407 ' HG2' HG21 ' A' ' 510' ' ' THR . 12.0 Cg_endo -55.15 -49.09 17.6 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.6 2.2 . . . . 0.0 113.027 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.531 ' O ' HG22 ' A' ' 510' ' ' THR . 1.2 p30 -130.01 -176.04 3.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.041 0.448 . . . . 0.0 111.89 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.562 HG12 HD23 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -80.78 -36.86 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.771 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.38 -43.27 83.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.016 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.968 HG23 HD12 ' A' ' 505' ' ' LEU . 14.6 t -70.32 -34.61 72.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.697 HD22 ' CB ' ' A' ' 496' ' ' HIS . 0.2 OUTLIER -70.18 -38.56 75.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.822 -179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -59.44 -46.26 89.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.9 -32.99 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -70.41 -55.5 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.606 HG23 HD12 ' A' ' 511' ' ' LEU . 40.9 t -58.75 -29.56 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.07 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -38.8 92.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -106.51 15.23 26.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.281 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 31.0 t -99.23 157.99 16.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 519' ' ' ILE . 1.5 tt -70.21 117.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.171 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_