data_2k1k_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 2k1k _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 160.39 40.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.69 -45.55 47.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.34 81.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.07 82.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.05 -55.19 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.04 -31.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.7 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.56 -48.59 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.47 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.14 -53.12 49.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.36 -28.55 61.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.19 -44.21 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.92 -54.65 17.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.7 mt -68.59 -25.38 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.47 -62.6 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.73 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.39 -35.65 74.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.96 -57.25 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.2 -42.0 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -139.86 122.11 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 159.9 41.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.32 -45.65 44.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.544 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.23 80.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.99 -41.38 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.71 -55.35 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.9 -30.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.1 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.61 -46.91 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.88 -30.6 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.76 -50.59 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.99 -29.85 58.32 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.91 -41.1 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 28.4 mt -73.63 -61.84 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.15 -28.77 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.08 -57.16 7.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.97 -40.07 79.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.315 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.25 -59.83 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.55 -39.82 81.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.011 179.837 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.45 159.83 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.6 -45.35 47.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.77 -32.03 80.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -42.17 79.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.62 -55.23 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.01 -30.28 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.97 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.28 -47.4 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.83 -30.18 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.86 -51.45 55.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.86 -29.62 60.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.0 tp -72.28 -45.06 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.1 -60.61 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.94 -28.25 68.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.63 -64.49 3.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.08 97.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.75 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.93 -36.17 76.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.45 -59.35 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.28 -39.72 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.82 122.49 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.56 159.83 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.58 -45.26 47.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.01 80.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.38 -41.52 80.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.27 -55.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.41 -30.88 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.57 -48.06 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.11 -48.19 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.98 -30.54 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.72 -52.26 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.6 -28.05 60.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -40.88 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.8 -55.47 7.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.8 -24.98 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.8 -57.07 7.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.1 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.84 -59.08 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.84 -38.27 78.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.882 0.372 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 160.03 40.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.58 -45.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.15 80.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -41.45 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.43 -55.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.37 -31.01 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.39 -48.81 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 53.4 t -58.41 -48.5 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.78 -30.62 50.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.45 -52.3 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.34 -28.79 59.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.14 -40.48 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.22 -57.0 4.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.2 -26.07 66.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.95 -57.24 7.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.18 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.57 -59.8 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 17.5 tp -58.01 -39.5 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.99 -49.88 75.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.47 122.78 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.76 -45.44 48.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.0 80.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.72 -55.32 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.82 -30.73 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.15 -48.67 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.58 -48.41 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.91 -29.99 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -66.18 -52.93 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.8 -29.96 62.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.78 -45.95 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.18 -57.73 7.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 22.5 mt -67.4 -23.3 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.16 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.13 90.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.84 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.83 -37.48 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.974 0.416 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.39 159.98 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.5 46.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.23 81.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.58 81.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.45 -55.33 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.01 -31.17 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.82 -47.56 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.7 -49.15 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.0 -29.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.67 -53.53 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.69 60.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.16 -45.68 66.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.1 -57.8 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.15 -24.95 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.87 -65.08 3.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.94 95.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.89 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.49 -36.91 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.84 -58.42 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.6 tp -55.45 -38.14 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.213 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.81 122.62 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 160.13 40.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.68 -45.7 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.53 -32.39 81.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.78 -41.64 82.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.51 -55.35 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.05 -31.14 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.91 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.15 -48.88 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.36 -30.18 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.73 -52.54 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.58 -29.58 59.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.54 -41.53 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.43 -57.91 4.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.41 -25.49 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.76 -58.64 7.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.86 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -53.9 -59.58 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 53.3 tp -58.15 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.81 160.37 40.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.16 49.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.19 -32.01 81.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.562 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.07 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.77 -55.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.26 -31.24 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.73 -49.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.63 -30.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.99 -53.83 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.79 61.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.91 -45.92 63.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.47 -57.88 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.95 -24.23 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.2 -64.43 3.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.3 85.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.17 -59.69 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.27 -35.84 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.85 -57.22 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.71 -38.48 64.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.87 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -157.61 122.64 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 159.9 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.7 -45.31 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.81 -32.06 80.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.35 -41.95 79.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.97 -55.18 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.87 -30.59 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.4 -48.54 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.68 -47.72 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -65.61 -30.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.47 -51.82 52.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.5 -28.76 60.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.0 -41.45 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.09 -57.39 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.4 mt -68.23 -25.98 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.69 -58.67 8.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.87 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.16 -59.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.04 -43.96 87.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.85 160.19 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.43 -45.72 45.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.37 81.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.505 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.91 -41.26 82.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.85 -55.27 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.05 -31.31 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.91 -47.76 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.53 -48.44 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.4 tt -64.93 -29.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.6 -53.03 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.37 -29.84 59.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.87 -42.65 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.1 -55.44 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.79 -26.46 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.66 -61.68 5.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.03 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.28 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.26 -36.64 75.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.55 -54.52 44.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.17 -39.72 72.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -157.02 122.7 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.57 160.11 40.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.6 -45.46 47.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.25 81.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.39 82.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.836 0.351 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.75 -55.61 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.26 -30.85 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.28 -48.32 65.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.051 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.9 -48.37 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.74 -30.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.94 -51.94 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.73 59.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.47 -43.22 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.23 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.14 -29.45 60.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.7 -64.49 3.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.25 88.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.13 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.48 -34.45 70.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.59 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.47 47.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.499 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.16 80.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.15 -42.3 80.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.72 -55.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.33 -30.99 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.29 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.72 -48.63 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -64.26 -29.43 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.23 -54.35 26.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.03 -26.33 69.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.62 -51.7 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.14 -56.88 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.36 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.56 -62.12 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.8 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.42 -38.99 85.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.7 tp -53.08 -37.82 61.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.513 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -158.79 122.46 3.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 159.98 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.67 -45.31 47.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.92 -32.16 81.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.469 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.13 -41.6 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.32 -55.34 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.69 -31.18 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.16 -48.79 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.25 -48.55 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -65.06 -29.7 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.11 -52.6 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.64 -28.6 59.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.87 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.69 -56.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.55 -29.04 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.59 -55.06 12.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.06 76.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.44 -59.94 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.89 -40.2 79.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.59 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.84 -45.12 49.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.01 80.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.33 -42.17 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.72 -55.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.93 -30.59 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.33 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.91 -47.31 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.2 tt -66.06 -30.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.04 -51.71 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.29 -30.24 58.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.11 -44.62 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 29.4 mt -69.84 -59.97 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.55 -28.58 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.74 -63.61 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.28 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.47 -59.61 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.98 -36.42 77.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.07 -59.15 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.93 -41.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -142.33 122.29 13.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.42 159.84 41.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.69 -44.97 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.11 -31.99 80.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.98 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.66 -55.07 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.13 -30.38 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.45 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.57 -46.25 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.6 tt -67.38 -29.66 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.61 -50.19 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.14 -29.91 55.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.32 -42.05 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.56 -57.2 4.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.09 -27.95 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.24 -58.62 7.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.35 84.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -54.17 -59.02 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.02 -39.39 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.25 160.43 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.44 -46.0 45.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.33 80.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.94 -41.27 82.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.83 -55.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.0 m -59.43 -31.31 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.09 -49.08 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.99 -30.69 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.22 -52.69 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.48 -29.12 60.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.9 -42.53 66.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.66 -57.22 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.93 -26.27 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.49 -58.28 8.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.28 69.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.88 -59.81 3.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.18 -45.31 87.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 4.1 tp -51.84 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.9 tp -51.57 -42.75 62.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -140.91 123.85 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.55 160.52 39.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.26 -46.21 43.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.51 -32.24 80.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.04 -40.99 82.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.15 -55.09 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.0 m -59.31 -31.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.88 -47.86 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.28 -49.39 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.63 -30.38 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.46 -53.65 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.27 61.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.57 -45.96 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.05 -57.09 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.88 -25.27 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.33 -64.3 3.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.88 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -50.79 -59.84 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.97 0.414 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.82 160.27 40.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.9 -45.94 49.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.412 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.26 -32.2 79.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.98 -41.39 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.66 -55.34 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.97 -30.75 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.41 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.4 -48.89 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.6 tt -63.64 -30.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.17 -53.66 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.33 -27.28 64.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.06 -45.97 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.06 -57.48 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.3 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.24 -62.76 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.11 94.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.53 -59.89 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.0 -38.06 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.41 -54.37 47.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.25 -46.94 76.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -137.73 122.42 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 160.01 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.46 -45.51 45.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.7 -32.52 81.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.84 -41.17 83.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.94 -55.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.78 -31.49 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.39 -46.5 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.22 -48.81 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -64.18 -28.82 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.87 -53.91 27.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.54 -24.92 69.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.28 -47.25 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.69 -57.65 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.12 -57.94 7.17 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.458 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.52 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.44 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.09 -37.82 78.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.51 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.55 -45.22 46.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.04 80.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -41.24 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.93 -55.91 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.3 m -57.31 -32.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.46 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.3 -50.72 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.2 tt -63.01 -27.06 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.12 -55.84 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.44 69.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.02 -52.6 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.14 -54.17 28.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.28 -63.31 4.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.76 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.26 -59.52 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -37.09 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.05 -59.05 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.81 -37.92 66.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -136.13 123.7 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 159.72 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.34 -45.67 44.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.5 -32.15 80.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -41.78 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.07 -55.27 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.97 -31.92 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.86 -50.44 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.41 -49.73 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.53 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.64 -53.89 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.69 -23.43 67.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.81 -46.28 46.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.24 -51.86 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 21.7 mt -69.61 -28.86 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.68 -56.47 12.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.08 -42.49 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.46 -59.55 4.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.75 -44.27 85.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.29 159.94 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.19 48.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.99 -32.0 80.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.25 -42.09 80.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.83 -55.15 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.06 -30.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.75 -48.46 63.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.79 -47.51 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -65.64 -30.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.2 -51.8 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.74 -31.38 60.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.84 -43.68 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.79 -64.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.97 -29.19 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.43 -63.79 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.75 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.5 tp -58.78 -36.51 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.85 -55.95 26.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.4 -41.62 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.891 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -135.79 124.62 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.11 159.95 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.44 -45.57 45.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.04 80.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.48 -41.33 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.43 -55.46 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.43 -31.13 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.12 -48.63 64.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.61 -48.9 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -64.48 -30.22 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.65 -53.1 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.32 -29.31 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -71.52 -43.03 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.98 -55.88 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.02 -26.48 66.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.46 -62.86 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.43 93.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.25 -59.25 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.0 -36.51 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.659 0.743 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 167.41 24.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -34.62 14.08 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.601 2.201 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.65 171.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 5.4 m 50.33 -164.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.06 29.73 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.52 19.68 35.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -142.27 123.38 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 160.39 40.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.69 -45.55 47.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.34 81.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.07 82.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.05 -55.19 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.04 -31.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.7 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 56.7 t -59.56 -48.59 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.47 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.14 -53.12 49.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.36 -28.55 61.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.19 -44.21 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.92 -54.65 17.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.7 mt -68.59 -25.38 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.47 -62.6 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.73 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.39 -35.65 74.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.96 -57.25 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.2 -42.0 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.52 7.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.6 -35.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.33 -25.05 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -81.45 -22.17 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 47.1 t -175.23 60.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -173.44 45.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.39 62.59 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.048 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 164.6 33.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.437 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.744 2.296 . . . . 0.0 112.34 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -166.58 -179.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 9.6 m 64.35 25.63 13.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -138.68 -173.89 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -78.59 4.11 61.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -139.86 122.11 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 159.9 41.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.32 -45.65 44.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.544 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.23 80.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.99 -41.38 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.71 -55.35 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.9 -30.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.1 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.61 -46.91 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.88 -30.6 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.76 -50.59 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.99 -29.85 58.32 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.91 -41.1 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 28.4 mt -73.63 -61.84 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.15 -28.77 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.08 -57.16 7.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.97 -40.07 79.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.315 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.25 -59.83 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.55 -39.82 81.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.02 -47.95 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.011 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.43 -44.84 96.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -54.61 -58.28 13.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 6.7 mt -54.08 -40.06 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 58.2 mt -60.92 -36.68 79.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 22.3 t -73.01 -37.39 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -77.06 -18.41 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -51.51 -58.16 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 5.0 t -170.96 44.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -166.65 46.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.05 65.39 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.16 28.52 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.4 p -176.86 159.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 8.2 t 65.47 57.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -151.12 -175.55 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -75.92 1.8 57.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.39 122.44 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.45 159.83 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.6 -45.35 47.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.77 -32.03 80.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -42.17 79.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.62 -55.23 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.01 -30.28 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.71 -47.97 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 49.8 t -59.28 -47.4 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.83 -30.18 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.86 -51.45 55.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.86 -29.62 60.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.0 tp -72.28 -45.06 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.1 -60.61 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.94 -28.25 68.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.63 -64.49 3.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.08 97.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.75 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.93 -36.17 76.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.45 -59.35 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.28 -39.72 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.65 -64.64 4.13 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 45.7 mm -50.46 -32.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.24 -42.54 96.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 21.1 t -76.76 -38.02 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.39 -23.21 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -92.66 19.23 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.6 t 64.94 80.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -148.53 -44.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 58.41 37.58 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.682 0.754 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.74 30.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.275 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.7 p -176.4 157.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 1.7 t 63.55 59.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -151.9 35.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.34 16.95 45.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.82 122.49 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.56 159.83 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.58 -45.26 47.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.01 80.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.38 -41.52 80.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.27 -55.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.41 -30.88 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.57 -48.06 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.11 -48.19 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.98 -30.54 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.72 -52.26 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.6 -28.05 60.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -40.88 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.8 -55.47 7.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.8 -24.98 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.8 -57.07 7.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.1 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.178 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.84 -59.08 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.84 -38.27 78.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.95 -46.41 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -52.01 -61.74 6.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.71 -46.31 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 58.5 mt -55.52 -31.42 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.17 -36.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.79 -18.69 60.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -51.54 -62.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.94 50.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.21 54.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -60.8 -18.41 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.69 0.757 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.779 2.32 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.39 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.13 158.72 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.92 20.6 12.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.15 38.2 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.55 17.84 42.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.16 122.75 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 160.03 40.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.58 -45.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.15 80.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -41.45 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.43 -55.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.37 -31.01 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.39 -48.81 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 53.4 t -58.41 -48.5 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.78 -30.62 50.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.45 -52.3 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.34 -28.79 59.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.14 -40.48 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.22 -57.0 4.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.2 -26.07 66.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.95 -57.24 7.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.18 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.57 -59.8 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 17.5 tp -58.01 -39.5 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.99 -49.88 75.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -53.0 -63.01 5.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 51.1 mm -51.76 -42.39 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.36 -32.01 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 65.3 t -74.8 -45.55 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.38 -29.34 67.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -52.49 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 3.1 m -168.79 63.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -136.31 -57.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.7 29.26 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.83 164.86 33.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.623 2.215 . . . . 0.0 112.369 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.763 2.309 . . . . 0.0 112.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.0 p -176.44 156.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.3 t 63.36 53.3 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -151.86 36.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.07 17.26 44.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.47 122.78 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.64 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.76 -45.44 48.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.0 80.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.72 -55.32 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.82 -30.73 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.15 -48.67 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.58 -48.41 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.91 -29.99 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -66.18 -52.93 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.8 -29.96 62.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.78 -45.95 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.18 -57.73 7.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 22.5 mt -67.4 -23.3 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.16 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.13 90.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.84 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.83 -37.48 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.7 -56.14 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 4.9 tp -53.97 -44.74 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -54.87 -60.64 8.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.6 mm -51.33 -46.96 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.82 -42.76 65.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 22.1 t -79.82 -13.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -91.22 -13.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -94.3 -74.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 22.8 t -76.11 59.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 12.62 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.97 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.747 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 166.39 27.85 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.34 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.1 p -176.84 159.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 7.4 t 65.37 57.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -151.34 -175.44 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -75.95 1.45 59.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.06 122.55 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.39 159.98 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.57 -45.5 46.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.23 81.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.58 81.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.45 -55.33 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.01 -31.17 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.82 -47.56 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.7 -49.15 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.0 -29.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.67 -53.53 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.69 60.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.16 -45.68 66.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.1 -57.8 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.15 -24.95 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.87 -65.08 3.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.94 95.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.89 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.49 -36.91 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.84 -58.42 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.6 tp -55.45 -38.14 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.55 -65.94 3.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 46.5 mm -50.65 -34.03 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.31 -46.27 90.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.41 -30.9 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.6 -18.87 55.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -116.43 -18.48 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 31.8 t -76.33 56.32 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.19 -65.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 50.56 32.75 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.601 0.715 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 165.46 30.84 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.99 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.2 p -176.55 156.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 4.9 t 63.57 58.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.88 35.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.66 16.7 46.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.428 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.81 122.62 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 160.13 40.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.68 -45.7 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.53 -32.39 81.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.78 -41.64 82.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.51 -55.35 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.05 -31.14 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.91 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.15 -48.88 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.36 -30.18 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -65.73 -52.54 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.58 -29.58 59.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.54 -41.53 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.43 -57.91 4.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.41 -25.49 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.76 -58.64 7.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.86 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -53.9 -59.58 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 53.3 tp -58.15 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.48 -49.67 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.79 -59.64 10.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 50.5 mm -51.8 -36.79 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 24.1 mt -60.8 -48.14 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.61 -24.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -71.33 -22.03 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -73.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.09 -74.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 51.93 68.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.682 0.753 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 167.51 24.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.96 13.52 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.56 170.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 5.1 m 50.36 -164.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.1 30.14 19.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.65 19.62 35.92 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -143.26 123.38 13.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.81 160.37 40.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.16 49.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.19 -32.01 81.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.562 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.07 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.77 -55.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.26 -31.24 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.08 -49.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.73 -49.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.63 -30.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.99 -53.83 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.79 61.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.91 -45.92 63.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.47 -57.88 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.95 -24.23 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.2 -64.43 3.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.98 -44.3 85.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.17 -59.69 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.27 -35.84 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.85 -57.22 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.71 -38.48 64.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.53 -63.36 5.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.75 -30.93 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.57 -47.16 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 46.7 t -79.71 -21.37 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -71.73 -19.25 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -117.18 -19.64 9.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 15.6 m -77.12 56.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -66.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.31 34.47 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.634 0.731 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.91 40.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -50.95 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -163.0 177.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.1 t 59.97 42.53 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -151.86 37.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.9 17.44 43.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -157.61 122.64 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.49 159.9 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.7 -45.31 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.81 -32.06 80.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.35 -41.95 79.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.97 -55.18 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.87 -30.59 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.4 -48.54 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.68 -47.72 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -65.61 -30.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.47 -51.82 52.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.5 -28.76 60.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.0 -41.45 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.09 -57.39 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.4 mt -68.23 -25.98 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.69 -58.67 8.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.87 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.16 -59.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.04 -43.96 87.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp -53.3 -57.7 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.59 -43.01 65.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.82 89.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.8 mm -65.31 -52.52 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -30.8 34.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.34 -40.45 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -66.21 -19.82 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -64.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 2.4 m -169.12 66.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -178.51 48.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -18.2 53.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.647 0.737 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 167.52 24.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.05 13.39 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.53 170.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 2.5 t 50.24 -164.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.0 30.2 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.69 19.54 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -143.09 123.39 13.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.85 160.19 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.43 -45.72 45.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.37 81.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.505 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.91 -41.26 82.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.85 -55.27 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.05 -31.31 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.91 -47.76 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.53 -48.44 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.4 tt -64.93 -29.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.6 -53.03 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.37 -29.84 59.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.87 -42.65 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.1 -55.44 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.79 -26.46 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.66 -61.68 5.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.03 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.28 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.26 -36.64 75.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.55 -54.52 44.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.17 -39.72 72.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.23 -60.19 9.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.6 mm -51.42 -40.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.06 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 99.1 t -79.48 -28.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -83.53 -24.06 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.96 -63.16 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 46.6 t -175.71 59.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -173.73 44.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.46 66.07 4.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 162.44 42.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.387 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.439 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -162.26 178.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.9 t 60.22 41.71 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.91 37.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.88 17.38 43.0 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -157.02 122.7 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.57 160.11 40.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.6 -45.46 47.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.25 81.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.39 82.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.836 0.351 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.75 -55.61 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.26 -30.85 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.28 -48.32 65.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.051 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.9 -48.37 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.74 -30.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.94 -51.94 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.73 59.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.47 -43.22 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 33.5 mt -71.23 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.14 -29.45 60.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.7 -64.49 3.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.25 88.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.13 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.48 -34.45 70.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.72 -57.9 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 6.3 tp -52.97 -38.0 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.99 9.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 7.3 mt -55.84 -26.7 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.88 -45.94 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.99 -35.57 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -54.38 -25.95 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -110.74 -13.64 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 5.9 m -52.89 -58.32 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 73.8 -62.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.22 26.64 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.685 0.755 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.1 35.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 62.56 1.72 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.353 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 1.4 t 58.31 171.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 2.1 t 65.97 49.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.65 35.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.2 17.19 44.74 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.45 122.62 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.59 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.47 47.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.499 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.16 80.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.15 -42.3 80.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.72 -55.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.33 -30.99 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.65 -49.29 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.72 -48.63 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -64.26 -29.43 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.23 -54.35 26.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.03 -26.33 69.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.62 -51.7 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.14 -56.88 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.36 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.56 -62.12 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.8 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.42 -38.99 85.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.7 tp -53.08 -37.82 61.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -59.39 -49.77 75.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.2 mm -60.6 -44.74 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.87 -33.43 73.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.78 -42.62 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -51.79 -31.51 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -104.25 -16.21 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 12.1 t -52.42 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 73.72 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.85 30.0 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.21 22.15 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.747 2.298 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -5.25 15.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 9.1 t 67.45 155.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.47 23.61 12.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -121.53 36.44 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.9 16.86 48.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -158.79 122.46 3.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 159.98 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.67 -45.31 47.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.92 -32.16 81.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.469 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.13 -41.6 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.32 -55.34 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.69 -31.18 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.16 -48.79 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.25 -48.55 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -65.06 -29.7 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.11 -52.6 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.64 -28.6 59.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.87 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.69 -56.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.55 -29.04 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.59 -55.06 12.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.06 76.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.44 -59.94 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.89 -40.2 79.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.11 -50.29 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -46.24 88.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.33 -57.9 16.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 51.1 mm -55.66 -39.49 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.76 -35.69 78.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 51.2 t -73.77 -38.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.37 -27.84 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -65.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 8.9 t -173.51 64.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -143.21 -62.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 55.73 40.98 30.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.654 0.74 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.32 21.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.386 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.66 -5.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.0 t 67.51 155.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 3.6 t 64.51 23.17 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -121.07 36.69 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.71 16.79 47.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.561 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -158.52 122.51 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.59 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.84 -45.12 49.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.01 80.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.33 -42.17 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.72 -55.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -58.93 -30.59 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.33 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.91 -47.31 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.2 tt -66.06 -30.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.04 -51.71 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.29 -30.24 58.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.11 -44.62 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 29.4 mt -69.84 -59.97 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.55 -28.58 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.74 -63.61 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.28 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.47 -59.61 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.98 -36.42 77.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.07 -59.15 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.93 -41.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.48 -57.34 19.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 6.3 mt -53.81 -45.7 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.32 -39.79 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.5 -34.32 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -65.0 -32.39 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 12.0 tpt85 -52.28 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 26.3 t -179.58 65.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.33 92.81 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 26.41 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.712 0.768 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 168.25 22.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.2 15.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 13.0 t 66.86 67.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.55 -33.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.46 -173.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -83.88 10.14 60.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -142.33 122.29 13.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.42 159.84 41.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.153 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.69 -44.97 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.11 -31.99 80.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.98 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.66 -55.07 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.2 m -59.13 -30.38 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.94 -47.45 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.57 -46.25 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.6 tt -67.38 -29.66 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -66.61 -50.19 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.14 -29.91 55.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.32 -42.05 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.56 -57.2 4.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.09 -27.95 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.24 -58.62 7.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.35 84.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -54.17 -59.02 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.02 -39.39 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.18 -58.41 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.07 -39.26 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.63 -69.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.09 -27.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.65 -39.79 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.57 -23.71 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -50.84 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -128.85 -7.89 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.84 55.42 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 20.92 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -179.35 -34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.657 0.741 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.64 33.82 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -32.69 18.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.4 m -154.87 175.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.49 -163.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.14 35.57 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 58.24 18.91 37.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -140.29 123.35 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.25 160.43 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.44 -46.0 45.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.33 80.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.94 -41.27 82.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.83 -55.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.0 m -59.43 -31.31 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.09 -49.08 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.99 -30.69 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.22 -52.69 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.48 -29.12 60.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.9 -42.53 66.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.66 -57.22 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.93 -26.27 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.49 -58.28 8.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.28 69.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.88 -59.81 3.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.18 -45.31 87.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 4.1 tp -51.84 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.9 tp -51.57 -42.75 62.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.58 -46.16 82.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 41.3 mm -64.0 -52.15 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.58 -31.35 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 75.2 t -79.95 -35.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 2.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -118.41 -69.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.9 t -76.06 59.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -116.86 -68.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.07 31.24 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.064 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.653 0.739 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 162.93 40.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -21.33 33.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 9.4 p -175.56 159.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.67 -164.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 59.99 43.28 14.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.62 19.44 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -140.91 123.85 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.55 160.52 39.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.26 -46.21 43.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.51 -32.24 80.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.04 -40.99 82.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.15 -55.09 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.0 m -59.31 -31.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.88 -47.86 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.28 -49.39 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.63 -30.38 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.46 -53.65 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.27 61.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.57 -45.96 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.05 -57.09 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.88 -25.27 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.33 -64.3 3.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.88 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -50.79 -59.84 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.57 -60.3 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 4.4 tp -51.7 -37.5 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -59.54 -62.29 6.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.36 -32.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.66 -46.58 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 50.4 t -79.68 -24.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -68.72 -18.32 64.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -117.19 -22.84 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 4.0 m -76.03 57.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -103.88 21.68 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.701 0.763 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.84 164.82 33.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 p 179.09 143.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 1.2 m 63.04 -90.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 51.02 -169.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -87.24 15.96 51.04 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.29 123.62 7.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.82 160.27 40.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.9 -45.94 49.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.412 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.26 -32.2 79.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.98 -41.39 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.66 -55.34 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.97 -30.75 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.12 -47.41 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.4 -48.89 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 11.6 tt -63.64 -30.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -65.17 -53.66 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.33 -27.28 64.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.06 -45.97 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.06 -57.48 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.3 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.24 -62.76 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.11 94.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.53 -59.89 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.0 -38.06 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.41 -54.37 47.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.25 -46.94 76.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -52.75 -60.04 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.09 -44.56 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.01 -48.08 64.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.72 -35.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.69 -19.9 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 23.57 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 8.2 t 63.37 82.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -149.62 98.42 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -136.4 26.06 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 164.21 35.34 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.223 . . . . 0.0 112.404 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.2 p -177.38 160.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 7.7 t 65.02 60.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -151.19 -175.53 5.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -74.84 0.74 56.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -137.73 122.42 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.2 160.01 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.46 -45.51 45.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.7 -32.52 81.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.84 -41.17 83.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.94 -55.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.78 -31.49 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.39 -46.5 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.22 -48.81 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -64.18 -28.82 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.87 -53.91 27.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.54 -24.92 69.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.28 -47.25 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.69 -57.65 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.12 -57.94 7.17 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.458 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.52 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.44 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.09 -37.82 78.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.98 -51.41 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 3.3 tp -63.79 -42.77 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.8 -60.88 8.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 45.3 mm -54.93 -38.3 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 21.3 mt -56.4 -44.37 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 40.1 t -79.57 -35.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.52 -22.4 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.5 20.63 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m 74.47 -59.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -121.43 -74.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 54.07 83.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 167.92 23.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -167.3 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.13 158.89 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 5.1 t 63.86 20.3 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.93 38.31 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.65 17.86 43.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.04 122.72 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.51 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.55 -45.22 46.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.04 80.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -41.24 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.93 -55.91 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.3 m -57.31 -32.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.46 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.3 -50.72 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 10.2 tt -63.01 -27.06 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.12 -55.84 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.44 69.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.02 -52.6 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.14 -54.17 28.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.28 -63.31 4.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.76 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.26 -59.52 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -37.09 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.05 -59.05 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.81 -37.92 66.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.85 3.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.4 mm -50.76 -33.51 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.94 -46.13 91.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.53 -31.03 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.68 -18.73 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -116.35 -18.7 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 32.2 t -76.39 56.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -65.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 50.77 35.23 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 167.74 23.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -166.26 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 4.0 p -95.56 164.8 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.25 14.94 9.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.21 -175.4 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -74.89 2.51 49.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -136.13 123.7 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 159.72 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.34 -45.67 44.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.5 -32.15 80.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -41.78 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.07 -55.27 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.97 -31.92 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.86 -50.44 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.41 -49.73 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.53 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.64 -53.89 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.69 -23.43 67.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.81 -46.28 46.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.24 -51.86 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 21.7 mt -69.61 -28.86 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.68 -56.47 12.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.08 -42.49 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.46 -59.55 4.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.75 -44.27 85.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 5.0 tp -53.53 -60.47 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.21 -37.58 47.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.97 -43.3 99.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.463 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 44.4 mm -66.46 -48.2 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.34 -42.32 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.51 -50.59 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.11 -24.18 67.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.17 -56.72 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.74 46.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.21 4.96 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 163.09 39.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 66.42 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 49.69 -169.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.33 19.91 11.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -128.05 -172.17 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -80.04 5.9 61.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -141.17 122.24 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.29 159.94 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.72 -45.19 48.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.99 -32.0 80.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.25 -42.09 80.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.83 -55.15 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.06 -30.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.75 -48.46 63.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.79 -47.51 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -65.64 -30.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.2 -51.8 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.74 -31.38 60.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.84 -43.68 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.79 -64.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.97 -29.19 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.43 -63.79 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.75 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.5 tp -58.78 -36.51 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.85 -55.95 26.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.4 -41.62 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -57.32 -59.68 10.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.71 -50.9 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 111.109 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.9 mt -53.08 -42.61 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 99.8 t -73.33 -26.34 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.66 -24.37 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 4.3 t -171.29 56.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -163.74 46.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.88 60.55 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.619 0.724 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.86 67.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -29.1 24.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 3.5 m -155.13 -178.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.98 -159.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.41 -174.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -83.9 17.25 27.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -135.79 124.62 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.11 159.95 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' GLY . . . . . . . . . . . . . . . -50.44 -45.57 45.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.04 80.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.48 -41.33 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' ILE . . . . . . . . . . . . . 2.6 mp -66.43 -55.46 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.43 -31.13 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.12 -48.63 64.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.61 -48.9 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -64.48 -30.22 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.65 -53.1 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.32 -29.31 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -71.52 -43.03 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.98 -55.88 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.02 -26.48 66.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.46 -62.86 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.43 93.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.25 -59.25 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.0 -36.51 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.8 -56.35 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 5.1 tp -53.89 -43.61 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.43 -61.62 7.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.44 -40.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.32 -48.78 73.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.55 -34.74 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.3 -21.32 61.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 22.9 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 4.3 t 54.27 62.56 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -176.16 117.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.07 36.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.67 160.39 40.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.69 -45.55 47.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.34 81.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -68.03 -41.07 82.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -67.05 -55.19 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.04 -31.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.22 -47.7 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 56.7 t -59.56 -48.59 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.47 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -65.14 -53.12 49.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.36 -28.55 61.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.19 -44.21 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.92 -54.65 17.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.7 mt -68.59 -25.38 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.47 -62.6 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.408 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -43.73 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.39 -35.65 74.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.96 -57.25 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.2 -42.0 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.521 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -139.86 122.11 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.702 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.19 159.9 41.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.32 -45.65 44.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.544 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.23 80.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.99 -41.38 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.702 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.71 -55.35 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.9 -30.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.76 -48.1 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -59.61 -46.91 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.88 -30.6 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.76 -50.59 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.99 -29.85 58.32 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.91 -41.1 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 556' ' ' LEU . 28.4 mt -73.63 -61.84 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.15 -28.77 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.08 -57.16 7.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.97 -40.07 79.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.315 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.25 -59.83 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.55 -39.82 81.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.851 HD23 HD13 ' A' ' 562' ' ' LEU . 4.1 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.011 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.57 HD21 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.712 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.45 159.83 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.6 -45.35 47.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.77 -32.03 80.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -42.17 79.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.62 -55.23 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -30.28 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.714 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.71 -47.97 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.8 t -59.28 -47.4 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 11.7 tt -65.83 -30.18 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.511 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.4 t80 -66.86 -51.45 55.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.86 -29.62 60.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.0 tp -72.28 -45.06 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.5 mt -69.1 -60.61 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 553' ' ' PHE . 7.2 mp -60.94 -28.25 68.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.63 -64.49 3.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.15 -41.08 97.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.75 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.93 -36.17 76.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.909 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.45 -59.35 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.28 -39.72 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.82 122.49 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.708 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.56 159.83 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.541 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.58 -45.26 47.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.01 80.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.38 -41.52 80.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.708 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.27 -55.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.41 -30.88 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.57 -48.06 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.714 HG23 ' HB1' ' A' ' 550' ' ' ALA . 61.1 t -59.11 -48.19 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.98 -30.54 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -64.72 -52.26 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.6 -28.05 60.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -40.88 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.8 -55.47 7.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.9 mt -68.8 -24.98 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.8 -57.07 7.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.909 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -41.1 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.84 -59.08 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.84 -38.27 78.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.796 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.882 0.372 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.46 160.03 40.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.58 -45.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.15 80.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -41.45 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.43 -55.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.37 -31.01 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.736 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.39 -48.81 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.744 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.4 t -58.41 -48.5 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.78 -30.62 50.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -64.45 -52.3 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.34 -28.79 59.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.14 -40.48 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.22 -57.0 4.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -67.2 -26.07 66.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.95 -57.24 7.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.949 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -69.19 -42.18 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.57 -59.8 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 17.5 tp -58.01 -39.5 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.809 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -57.99 -49.88 75.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.47 122.78 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.701 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.64 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.528 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.76 -45.44 48.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.493 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.0 80.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.701 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.72 -55.32 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.528 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.82 -30.73 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.744 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.15 -48.67 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.736 HG23 ' HB1' ' A' ' 550' ' ' ALA . 48.0 t -58.58 -48.41 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.91 -29.99 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -66.18 -52.93 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.8 -29.96 62.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.78 -45.95 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.18 -57.73 7.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.5 mt -67.4 -23.3 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.16 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.67 -43.13 90.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.84 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.83 -37.48 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.949 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.974 0.416 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.39 159.98 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.57 -45.5 46.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.23 81.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.58 81.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.45 -55.33 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -31.17 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.82 -47.56 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.7 -49.15 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.0 -29.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.0 t80 -65.67 -53.53 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.69 60.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.16 -45.68 66.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.1 -57.8 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 553' ' ' PHE . 22.7 mt -65.15 -24.95 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.87 -65.08 3.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.93 -41.94 95.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.89 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.49 -36.91 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.84 -58.42 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.6 tp -55.45 -38.14 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.213 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.81 122.62 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.61 160.13 40.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.532 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.68 -45.7 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.53 -32.39 81.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.78 -41.64 82.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.51 -55.35 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.532 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -59.05 -31.14 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -47.91 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.4 t -59.15 -48.88 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.36 -30.18 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -65.73 -52.54 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.58 -29.58 59.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.54 -41.53 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.43 -57.91 4.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -66.41 -25.49 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.76 -58.64 7.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.59 -43.86 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -53.9 -59.58 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 53.3 tp -58.15 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.806 HD23 HD13 ' A' ' 562' ' ' LEU . 4.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.725 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.81 160.37 40.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.8 -45.16 49.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.19 -32.01 81.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.562 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.07 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.77 -55.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.26 -31.24 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.702 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.08 -49.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.5 t -57.73 -49.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.63 -30.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -63.99 -53.83 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.79 61.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.91 -45.92 63.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.47 -57.88 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -65.95 -24.23 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.2 -64.43 3.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.98 -44.3 85.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.17 -59.69 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.27 -35.84 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.971 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -61.85 -57.22 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.71 -38.48 64.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.87 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.53 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -157.61 122.64 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.49 159.9 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.7 -45.31 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.81 -32.06 80.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.35 -41.95 79.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.97 -55.18 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.87 -30.59 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.4 -48.54 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.702 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.3 t -58.68 -47.72 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -65.61 -30.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.612 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -66.47 -51.82 52.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.5 -28.76 60.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.0 -41.45 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.09 -57.39 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.612 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -68.23 -25.98 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.69 -58.67 8.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.35 -43.87 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.094 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.16 -59.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.04 -43.96 87.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.678 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.85 160.19 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.43 -45.72 45.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.37 81.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.505 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.91 -41.26 82.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.85 -55.27 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.05 -31.31 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.717 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.91 -47.76 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.757 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.6 t -59.53 -48.44 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.4 tt -64.93 -29.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.2 t80 -65.6 -53.03 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.37 -29.84 59.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.87 -42.65 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 556' ' ' LEU . 24.0 mt -69.1 -55.44 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.3 mt -66.79 -26.46 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.66 -61.68 5.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.74 -44.03 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.28 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.26 -36.64 75.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.922 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -60.55 -54.52 44.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.17 -39.72 72.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.526 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -157.02 122.7 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -141.57 160.11 40.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.542 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.6 -45.46 47.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.25 81.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -68.03 -41.39 82.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.836 0.351 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.75 -55.61 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.26 -30.85 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.28 -48.32 65.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.717 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.9 -48.37 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 552' ' ' ILE . . . . . 0.416 HG12 HD12 ' B' ' 556' ' ' LEU . 12.5 tt -64.74 -30.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.94 -51.94 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.73 59.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.47 -43.22 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.416 HD12 HG12 ' B' ' 552' ' ' ILE . 33.5 mt -71.23 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 557' ' ' LEU . 4.3 mm? -56.14 -29.45 60.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.7 -64.49 3.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.922 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.33 -45.25 88.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.13 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.48 -34.45 70.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.714 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.65 -45.47 47.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.499 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.16 80.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.15 -42.3 80.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.33 -30.99 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.658 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.65 -49.29 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.0 t -58.72 -48.63 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.441 HG12 HD22 ' A' ' 556' ' ' LEU . 12.3 tt -64.26 -29.43 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.507 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.6 t80 -66.23 -54.35 26.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.03 -26.33 69.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.62 -51.7 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 552' ' ' ILE . 5.5 mp -67.14 -56.88 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.507 HD22 ' CE1' ' A' ' 553' ' ' PHE . 6.7 mp -62.36 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.56 -62.12 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.8 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.42 -38.99 85.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.93 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.7 tp -53.08 -37.82 61.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.513 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.522 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -158.79 122.46 3.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.58 159.98 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.67 -45.31 47.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.92 -32.16 81.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.469 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.13 -41.6 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.32 -55.34 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.69 -31.18 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.16 -48.79 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.658 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.25 -48.55 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -65.06 -29.7 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.2 t80 -65.11 -52.6 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.64 -28.6 59.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.87 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.69 -56.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.6 mt -66.55 -29.04 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.59 -55.06 12.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.93 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -42.06 76.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.44 -59.94 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.89 -40.2 79.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.737 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.84 -45.12 49.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.01 80.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.33 -42.17 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.93 -30.59 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.64 -48.33 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.646 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -58.91 -47.31 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 12.2 tt -66.06 -30.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.455 ' HE1' HD22 ' A' ' 557' ' ' LEU . 2.5 t80 -66.04 -51.71 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.29 -30.24 58.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.11 -44.62 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.4 mt -69.84 -59.97 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 553' ' ' PHE . 7.0 mp -61.55 -28.58 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.74 -63.61 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.28 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.47 -59.61 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.98 -36.42 77.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.905 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.07 -59.15 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.93 -41.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -142.33 122.29 13.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.42 159.84 41.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.153 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.69 -44.97 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.11 -31.99 80.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.98 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.66 -55.07 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -59.13 -30.38 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.94 -47.45 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.637 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.9 t -59.57 -46.25 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 552' ' ' ILE . . . . . 0.41 HG12 HD12 ' B' ' 556' ' ' LEU . 11.6 tt -67.38 -29.66 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.423 ' O ' HD13 ' B' ' 557' ' ' LEU . 2.6 t80 -66.61 -50.19 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.14 -29.91 55.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.32 -42.05 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' LEU . . . . . 0.41 HD12 HG12 ' B' ' 552' ' ' ILE . 29.9 mt -72.56 -57.2 4.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.423 HD13 ' O ' ' B' ' 553' ' ' PHE . 6.8 mp -65.09 -27.95 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.24 -58.62 7.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.905 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -67.13 -42.35 84.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -54.17 -59.02 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.02 -39.39 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 562' ' ' LEU . 4.7 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.25 160.43 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.54 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.44 -46.0 45.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.33 80.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.94 -41.27 82.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.83 -55.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -59.43 -31.31 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.725 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.735 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.09 -49.08 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.99 -30.69 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.587 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -65.22 -52.69 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.48 -29.12 60.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.9 -42.53 66.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.66 -57.22 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.1 mt -66.93 -26.27 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.49 -58.28 8.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -70.1 -44.28 69.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.88 -59.81 3.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.18 -45.31 87.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.842 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -51.84 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.9 tp -51.57 -42.75 62.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.798 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -140.91 123.85 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -139.55 160.52 39.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.26 -46.21 43.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.51 -32.24 80.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 551' ' ' VAL . 3.9 mt-10 -68.04 -40.99 82.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.798 HD11 HD11 ' B' ' 543' ' ' LEU . 2.6 mp -67.15 -55.09 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.0 m -59.31 -31.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.88 -47.86 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.725 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.3 t -59.28 -49.39 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.63 -30.38 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.9 t80 -65.46 -53.65 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.27 61.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.57 -45.96 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.05 -57.09 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.8 mt -65.88 -25.27 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.33 -64.3 3.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.8 -41.88 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -50.79 -59.84 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 561' ' ' LEU . 4.0 tt -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.95 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.97 0.414 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -140.82 160.27 40.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.9 -45.94 49.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.412 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.26 -32.2 79.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.98 -41.39 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.66 -55.34 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -58.97 -30.75 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.701 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.12 -47.41 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.724 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -60.4 -48.89 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.413 HG12 HD12 ' A' ' 556' ' ' LEU . 11.6 tt -63.64 -30.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.459 ' O ' HD13 ' A' ' 557' ' ' LEU . 2.6 t80 -65.17 -53.66 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.33 -27.28 64.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.06 -45.97 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 552' ' ' ILE . 28.7 mt -69.06 -57.48 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 553' ' ' PHE . 6.8 mp -62.3 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.24 -62.76 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.11 94.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.53 -59.89 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.0 -38.06 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.916 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -59.41 -54.37 47.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 563' ' ' LEU . 5.2 tt -55.25 -46.94 76.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.543 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -137.73 122.42 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.706 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.2 160.01 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.531 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.46 -45.51 45.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.7 -32.52 81.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.403 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -67.84 -41.17 83.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.706 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.94 -55.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.531 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.78 -31.49 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.724 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.39 -46.5 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.701 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.1 t -61.22 -48.81 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -64.18 -28.82 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.87 -53.91 27.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.54 -24.92 69.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.28 -47.25 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.69 -57.65 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.12 -57.94 7.17 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.458 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.916 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -66.76 -38.52 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.44 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.09 -37.82 78.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.841 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -141.51 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.55 -45.22 46.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.04 80.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -41.24 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.93 -55.91 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.3 m -57.31 -32.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -65.85 -49.46 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.693 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.7 t -58.3 -50.72 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 556' ' ' LEU . 10.2 tt -63.01 -27.06 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' A' ' 557' ' ' LEU . 5.2 t80 -67.12 -55.84 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.44 69.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.02 -52.6 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 552' ' ' ILE . 5.6 mp -66.14 -54.17 28.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.599 HD12 ' CE1' ' A' ' 553' ' ' PHE . 32.5 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.28 -63.31 4.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.578 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -42.76 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.26 -59.52 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -37.09 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -61.05 -59.05 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.81 -37.92 66.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.607 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -136.13 123.7 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -142.18 159.72 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.53 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.34 -45.67 44.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.5 -32.15 80.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -41.78 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.07 -55.27 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.53 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.97 -31.92 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.693 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -66.86 -50.44 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.4 t -57.41 -49.73 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.53 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' B' ' 557' ' ' LEU . 4.0 t80 -65.64 -53.89 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.69 -23.43 67.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.81 -46.28 46.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.24 -51.86 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.589 HD12 ' CE1' ' B' ' 553' ' ' PHE . 21.7 mt -69.61 -28.86 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.68 -56.47 12.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.08 -42.49 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.46 -59.55 4.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.75 -44.27 85.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.733 HD23 HD13 ' A' ' 562' ' ' LEU . 5.0 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.715 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.29 159.94 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 545' ' ' GLY . . . . . 0.535 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.72 -45.19 48.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.99 -32.0 80.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.25 -42.09 80.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.83 -55.15 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.06 -30.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.75 -48.46 63.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 47.8 t -58.79 -47.51 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' ILE . . . . . 0.421 HG12 HD12 ' A' ' 556' ' ' LEU . 12.0 tt -65.64 -30.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.2 -51.8 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.74 -31.38 60.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.84 -43.68 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 552' ' ' ILE . 29.1 mt -70.79 -64.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.97 -29.19 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.43 -63.79 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ALA . . . . . 0.911 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.23 -43.75 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.5 tp -58.78 -36.51 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.823 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.85 -55.95 26.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.4 -41.62 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.891 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -135.79 124.62 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 544' ' ' THR . . . . . 0.711 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -142.11 159.95 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.44 -45.57 45.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.04 80.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.401 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.48 -41.33 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 548' ' ' ILE . . . . . 0.711 HD12 ' O ' ' B' ' 544' ' ' THR . 2.6 mp -66.43 -55.46 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.43 -31.13 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -48.63 64.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -58.61 -48.9 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -64.48 -30.22 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 553' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.0 t80 -64.65 -53.1 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.32 -29.31 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -71.52 -43.03 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.98 -55.88 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 557' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.1 mt -67.02 -26.48 66.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.46 -62.86 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 559' ' ' ALA . . . . . 0.823 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.68 -43.43 93.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.25 -59.25 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.0 -36.51 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.911 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.659 0.743 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 537' ' ' PRO . . . . . 0.424 ' CD ' HD12 ' A' ' 543' ' ' LEU . 54.5 Cg_endo -69.78 167.41 24.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -34.62 14.08 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.601 2.201 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.65 171.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 5.4 m 50.33 -164.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.06 29.73 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.52 19.68 35.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -142.27 123.38 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.67 160.39 40.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.69 -45.55 47.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.34 81.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -68.03 -41.07 82.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -67.05 -55.19 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.04 -31.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.22 -47.7 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 56.7 t -59.56 -48.59 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.47 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -65.14 -53.12 49.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.36 -28.55 61.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.19 -44.21 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.92 -54.65 17.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.7 mt -68.59 -25.38 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.47 -62.6 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.408 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -43.73 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.39 -35.65 74.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.96 -57.25 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.2 -42.0 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.52 7.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.6 -35.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.459 HD13 HD13 ' B' ' 566' ' ' LEU . 19.2 mt -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.33 -25.05 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -81.45 -22.17 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 47.1 t -175.23 60.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -173.44 45.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.39 62.59 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.048 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 164.6 33.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.437 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' PRO . . . . . 0.61 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.744 2.296 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.61 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.0 OUTLIER -166.58 -179.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 9.6 m 64.35 25.63 13.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -138.68 -173.89 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -78.59 4.11 61.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.521 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -139.86 122.11 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.702 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.19 159.9 41.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.32 -45.65 44.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.544 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.23 80.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.99 -41.38 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.702 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.71 -55.35 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.9 -30.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.76 -48.1 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -59.61 -46.91 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.88 -30.6 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.76 -50.59 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.99 -29.85 58.32 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.91 -41.1 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 556' ' ' LEU . 28.4 mt -73.63 -61.84 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.15 -28.77 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.08 -57.16 7.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.97 -40.07 79.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.315 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.25 -59.83 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.55 -39.82 81.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.851 HD23 HD13 ' A' ' 562' ' ' LEU . 4.1 tp -57.02 -47.95 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.011 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 567' ' ' VAL . 0.9 OUTLIER -61.43 -44.84 96.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -54.61 -58.28 13.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 6.7 mt -54.08 -40.06 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.459 HD13 HD13 ' A' ' 566' ' ' LEU . 58.2 mt -60.92 -36.68 79.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 563' ' ' LEU . 22.3 t -73.01 -37.39 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -77.06 -18.41 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -51.51 -58.16 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 5.0 t -170.96 44.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -166.65 46.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 572' ' ' ARG . . . . . 0.555 ' HA ' HG12 ' B' ' 567' ' ' VAL . 0.5 OUTLIER -81.05 65.39 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 537' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 543' ' ' LEU . 54.0 Cg_endo -69.76 166.16 28.52 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 540' ' ' SER . 9.4 p -176.86 159.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 539' ' ' VAL . 8.2 t 65.47 57.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -151.12 -175.55 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -75.92 1.8 57.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.635 HD12 ' HD2' ' A' ' 537' ' ' PRO . 3.4 tm? -138.39 122.44 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.712 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.45 159.83 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.6 -45.35 47.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.77 -32.03 80.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -42.17 79.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.62 -55.23 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -30.28 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.714 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.71 -47.97 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.8 t -59.28 -47.4 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 11.7 tt -65.83 -30.18 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.511 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.4 t80 -66.86 -51.45 55.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.86 -29.62 60.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.0 tp -72.28 -45.06 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.5 mt -69.1 -60.61 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 553' ' ' PHE . 7.2 mp -60.94 -28.25 68.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.63 -64.49 3.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.15 -41.08 97.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.75 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.93 -36.17 76.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.909 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.45 -59.35 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 567' ' ' VAL . 3.6 tp -53.28 -39.72 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.65 -64.64 4.13 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 45.7 mm -50.46 -32.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 566' ' ' LEU . 16.0 mt -64.24 -42.54 96.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 563' ' ' LEU . 21.1 t -76.76 -38.02 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.39 -23.21 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -92.66 19.23 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.6 t 64.94 80.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -148.53 -44.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 58.41 37.58 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.522 ' HB2' HH22 ' B' ' 571' ' ' ARG . . . . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.682 0.754 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.74 30.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.275 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.7 p -176.4 157.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 1.7 t 63.55 59.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -151.9 35.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.34 16.95 45.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.82 122.49 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.708 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.56 159.83 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.541 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.58 -45.26 47.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.01 80.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.38 -41.52 80.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.708 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.27 -55.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.41 -30.88 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.57 -48.06 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.714 HG23 ' HB1' ' A' ' 550' ' ' ALA . 61.1 t -59.11 -48.19 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.98 -30.54 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -64.72 -52.26 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.6 -28.05 60.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -40.88 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.8 -55.47 7.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.9 mt -68.8 -24.98 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.8 -57.07 7.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.909 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -41.1 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.84 -59.08 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.84 -38.27 78.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.796 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.717 ' O ' HG23 ' B' ' 567' ' ' VAL . 1.4 tp -62.95 -46.41 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -52.01 -61.74 6.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.71 -46.31 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 58.5 mt -55.52 -31.42 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 563' ' ' LEU . 59.5 t -76.17 -36.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.79 -18.69 60.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -51.54 -62.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.94 50.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 571' ' ' ARG . . . . . 0.522 HH22 ' HB2' ' A' ' 573' ' ' ALA . 0.0 OUTLIER -179.21 54.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -60.8 -18.41 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.69 0.757 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.779 2.32 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.39 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 540' ' ' SER . 5.2 t -77.13 158.72 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 539' ' ' VAL . 0.3 OUTLIER 63.92 20.6 12.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.15 38.2 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.55 17.84 42.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -159.16 122.75 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.46 160.03 40.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.58 -45.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.15 80.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -41.45 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.43 -55.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.37 -31.01 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.736 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.39 -48.81 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.744 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.4 t -58.41 -48.5 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.78 -30.62 50.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -64.45 -52.3 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.34 -28.79 59.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.14 -40.48 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.22 -57.0 4.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -67.2 -26.07 66.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.95 -57.24 7.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.949 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -69.19 -42.18 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.57 -59.8 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 17.5 tp -58.01 -39.5 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.809 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -57.99 -49.88 75.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.695 ' O ' HG23 ' A' ' 567' ' ' VAL . 0.8 OUTLIER -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -53.0 -63.01 5.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 51.1 mm -51.76 -42.39 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.36 -32.01 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 563' ' ' LEU . 65.3 t -74.8 -45.55 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.38 -29.34 67.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -52.49 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 3.1 m -168.79 63.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -136.31 -57.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.7 29.26 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 537' ' ' PRO . . . . . 0.763 ' HD2' HD12 ' B' ' 543' ' ' LEU . 54.4 Cg_endo -69.83 164.86 33.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.623 2.215 . . . . 0.0 112.369 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.763 2.309 . . . . 0.0 112.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.0 p -176.44 156.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.3 t 63.36 53.3 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -151.86 36.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.07 17.26 44.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' B' ' 537' ' ' PRO . 3.4 tm? -159.47 122.78 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.701 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.64 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.528 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.76 -45.44 48.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.493 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.0 80.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.701 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.72 -55.32 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.528 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.82 -30.73 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.744 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.15 -48.67 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.736 HG23 ' HB1' ' A' ' 550' ' ' ALA . 48.0 t -58.58 -48.41 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.91 -29.99 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -66.18 -52.93 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.8 -29.96 62.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.78 -45.95 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.18 -57.73 7.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.5 mt -67.4 -23.3 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.16 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.67 -43.13 90.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.84 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.83 -37.48 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.949 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -59.7 -56.14 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.573 ' O ' HG23 ' B' ' 567' ' ' VAL . 4.9 tp -53.97 -44.74 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -54.87 -60.64 8.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.6 mm -51.33 -46.96 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.82 -42.76 65.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 563' ' ' LEU . 22.1 t -79.82 -13.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -91.22 -13.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -94.3 -74.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 22.8 t -76.11 59.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 12.62 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.97 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.747 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 537' ' ' PRO . . . . . 0.63 ' HD2' HD12 ' A' ' 543' ' ' LEU . 53.4 Cg_endo -69.83 166.39 27.85 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.34 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 540' ' ' SER . 9.1 p -176.84 159.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 539' ' ' VAL . 7.4 t 65.37 57.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -151.34 -175.44 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -75.95 1.45 59.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.63 HD12 ' HD2' ' A' ' 537' ' ' PRO . 3.4 tm? -138.06 122.55 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.39 159.98 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.57 -45.5 46.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.23 81.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.58 81.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.45 -55.33 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -31.17 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.82 -47.56 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.7 -49.15 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.0 -29.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.0 t80 -65.67 -53.53 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.69 60.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.16 -45.68 66.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.1 -57.8 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 553' ' ' PHE . 22.7 mt -65.15 -24.95 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.87 -65.08 3.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.93 -41.94 95.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.89 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.49 -36.91 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.84 -58.42 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.6 tp -55.45 -38.14 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.55 -65.94 3.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 46.5 mm -50.65 -34.03 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.31 -46.27 90.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.41 -30.9 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.6 -18.87 55.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -116.43 -18.48 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 31.8 t -76.33 56.32 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.19 -65.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 50.56 32.75 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.601 0.715 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 165.46 30.84 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.99 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.2 p -176.55 156.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 4.9 t 63.57 58.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.88 35.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.66 16.7 46.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.428 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.81 122.62 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.61 160.13 40.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.532 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.68 -45.7 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.53 -32.39 81.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.78 -41.64 82.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.51 -55.35 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.532 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -59.05 -31.14 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -47.91 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.4 t -59.15 -48.88 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.36 -30.18 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -65.73 -52.54 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.58 -29.58 59.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.54 -41.53 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.43 -57.91 4.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -66.41 -25.49 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.76 -58.64 7.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.59 -43.86 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -53.9 -59.58 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 53.3 tp -58.15 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.806 HD23 HD13 ' A' ' 562' ' ' LEU . 4.2 tp -56.48 -49.67 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' B' ' 566' ' ' LEU . 0.8 OUTLIER -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.79 -59.64 10.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 50.5 mm -51.8 -36.79 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' B' ' 563' ' ' LEU . 24.1 mt -60.8 -48.14 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.61 -24.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -71.33 -22.03 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -73.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.09 -74.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 51.93 68.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.682 0.753 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 537' ' ' PRO . . . . . 0.436 ' CD ' HD12 ' A' ' 543' ' ' LEU . 53.3 Cg_endo -69.83 167.51 24.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.96 13.52 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.56 170.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 5.1 m 50.36 -164.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.1 30.14 19.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.65 19.62 35.92 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -143.26 123.38 13.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.725 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.81 160.37 40.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.8 -45.16 49.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.19 -32.01 81.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.562 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.07 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.77 -55.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.26 -31.24 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.702 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.08 -49.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.5 t -57.73 -49.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.63 -30.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -63.99 -53.83 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.79 61.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.91 -45.92 63.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.47 -57.88 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -65.95 -24.23 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.2 -64.43 3.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.98 -44.3 85.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.17 -59.69 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.27 -35.84 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.971 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -61.85 -57.22 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.71 -38.48 64.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.53 -63.36 5.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.75 -30.93 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.57 -47.16 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 46.7 t -79.71 -21.37 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -71.73 -19.25 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -117.18 -19.64 9.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 15.6 m -77.12 56.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -66.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.31 34.47 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.634 0.731 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.91 40.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' PRO . . . . . 0.585 ' O ' HG13 ' B' ' 539' ' ' VAL . 53.4 Cg_endo -69.78 -50.95 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.585 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.1 OUTLIER -163.0 177.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.1 t 59.97 42.53 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -151.86 37.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.9 17.44 43.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.53 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -157.61 122.64 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.49 159.9 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.7 -45.31 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.81 -32.06 80.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.35 -41.95 79.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.97 -55.18 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.87 -30.59 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.4 -48.54 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.702 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.3 t -58.68 -47.72 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -65.61 -30.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.612 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -66.47 -51.82 52.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.5 -28.76 60.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.0 -41.45 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.09 -57.39 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.612 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -68.23 -25.98 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.69 -58.67 8.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.35 -43.87 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.094 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.16 -59.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.04 -43.96 87.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -53.3 -57.7 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.668 ' O ' HG23 ' B' ' 567' ' ' VAL . 2.7 tp -52.59 -43.01 65.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.82 89.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.8 mm -65.31 -52.52 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -30.8 34.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 563' ' ' LEU . 94.0 t -79.34 -40.45 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -66.21 -19.82 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -64.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 2.4 m -169.12 66.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -178.51 48.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -18.2 53.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.647 0.737 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 537' ' ' PRO . . . . . 0.441 ' CD ' HD12 ' A' ' 543' ' ' LEU . 53.4 Cg_endo -69.84 167.52 24.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.05 13.39 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.53 170.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 2.5 t 50.24 -164.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.0 30.2 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.69 19.54 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.678 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -143.09 123.39 13.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.85 160.19 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.43 -45.72 45.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.37 81.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.505 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.91 -41.26 82.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.85 -55.27 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.05 -31.31 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.717 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.91 -47.76 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.757 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.6 t -59.53 -48.44 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.4 tt -64.93 -29.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.2 t80 -65.6 -53.03 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.37 -29.84 59.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.87 -42.65 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 556' ' ' LEU . 24.0 mt -69.1 -55.44 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.3 mt -66.79 -26.46 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.66 -61.68 5.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.74 -44.03 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.28 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.26 -36.64 75.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.922 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -60.55 -54.52 44.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.697 ' O ' HG23 ' A' ' 567' ' ' VAL . 4.3 tp -56.17 -39.72 72.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.23 -60.19 9.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.6 mm -51.42 -40.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.06 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.1 t -79.48 -28.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -83.53 -24.06 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.96 -63.16 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 46.6 t -175.71 59.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -173.73 44.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.46 66.07 4.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 162.44 42.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.387 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' PRO . . . . . 0.579 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.4 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.439 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.579 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.1 OUTLIER -162.26 178.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.9 t 60.22 41.71 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.91 37.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.88 17.38 43.0 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.526 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -157.02 122.7 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -141.57 160.11 40.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.542 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.6 -45.46 47.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.25 81.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -68.03 -41.39 82.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.836 0.351 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.75 -55.61 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.26 -30.85 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.28 -48.32 65.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.717 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.9 -48.37 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 552' ' ' ILE . . . . . 0.416 HG12 HD12 ' B' ' 556' ' ' LEU . 12.5 tt -64.74 -30.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.94 -51.94 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.73 59.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.47 -43.22 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.416 HD12 HG12 ' B' ' 552' ' ' ILE . 33.5 mt -71.23 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 557' ' ' LEU . 4.3 mm? -56.14 -29.45 60.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.7 -64.49 3.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.922 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.33 -45.25 88.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.13 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' LEU . . . . . 0.412 ' O ' HD12 ' B' ' 565' ' ' ILE . 51.7 tp -58.48 -34.45 70.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -63.72 -57.9 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 6.3 tp -52.97 -38.0 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.99 9.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 565' ' ' ILE . . . . . 0.412 HD12 ' O ' ' B' ' 561' ' ' LEU . 7.3 mt -55.84 -26.7 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.88 -45.94 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.99 -35.57 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -54.38 -25.95 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -110.74 -13.64 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 5.9 m -52.89 -58.32 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 73.8 -62.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.22 26.64 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.685 0.755 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.1 35.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.43 ' C ' HG23 ' A' ' 539' ' ' VAL . 53.7 Cg_endo -69.66 62.56 1.72 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 540' ' ' SER . 1.4 t 58.31 171.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' SER . . . . . 0.537 ' H ' HG12 ' A' ' 539' ' ' VAL . 2.1 t 65.97 49.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.65 35.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.2 17.19 44.74 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -159.45 122.62 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.714 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.65 -45.47 47.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.499 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.16 80.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.15 -42.3 80.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.33 -30.99 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.658 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.65 -49.29 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.0 t -58.72 -48.63 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.441 HG12 HD22 ' A' ' 556' ' ' LEU . 12.3 tt -64.26 -29.43 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.507 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.6 t80 -66.23 -54.35 26.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.03 -26.33 69.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.62 -51.7 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 552' ' ' ILE . 5.5 mp -67.14 -56.88 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.507 HD22 ' CE1' ' A' ' 553' ' ' PHE . 6.7 mp -62.36 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.56 -62.12 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.8 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.42 -38.99 85.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.93 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 567' ' ' VAL . 4.7 tp -53.08 -37.82 61.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -59.39 -49.77 75.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.2 mm -60.6 -44.74 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 562' ' ' LEU . 3.1 mm? -60.87 -33.43 73.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 563' ' ' LEU . 87.9 t -79.78 -42.62 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -51.79 -31.51 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -104.25 -16.21 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 12.1 t -52.42 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 73.72 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.85 30.0 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.21 22.15 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.747 2.298 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -5.25 15.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 9.1 t 67.45 155.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.47 23.61 12.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -121.53 36.44 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.9 16.86 48.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.522 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -158.79 122.46 3.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.58 159.98 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.67 -45.31 47.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.92 -32.16 81.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.469 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.13 -41.6 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.32 -55.34 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.69 -31.18 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.16 -48.79 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.658 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.25 -48.55 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -65.06 -29.7 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.2 t80 -65.11 -52.6 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.64 -28.6 59.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.87 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.69 -56.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.6 mt -66.55 -29.04 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.59 -55.06 12.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.93 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -42.06 76.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.44 -59.94 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.89 -40.2 79.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.737 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -57.11 -50.29 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.714 ' O ' HG23 ' B' ' 567' ' ' VAL . 0.9 OUTLIER -58.79 -46.24 88.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.33 -57.9 16.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 51.1 mm -55.66 -39.49 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.76 -35.69 78.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.714 HG23 ' O ' ' B' ' 563' ' ' LEU . 51.2 t -73.77 -38.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.37 -27.84 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -65.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 8.9 t -173.51 64.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -143.21 -62.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 55.73 40.98 30.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.654 0.74 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.32 21.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.386 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.66 -5.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.0 t 67.51 155.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 3.6 t 64.51 23.17 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -121.07 36.69 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.71 16.79 47.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.561 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -158.52 122.51 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.84 -45.12 49.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.01 80.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.33 -42.17 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.93 -30.59 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.64 -48.33 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.646 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -58.91 -47.31 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 12.2 tt -66.06 -30.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.455 ' HE1' HD22 ' A' ' 557' ' ' LEU . 2.5 t80 -66.04 -51.71 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.29 -30.24 58.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.11 -44.62 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.4 mt -69.84 -59.97 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 553' ' ' PHE . 7.0 mp -61.55 -28.58 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.74 -63.61 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.28 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.47 -59.61 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 565' ' ' ILE . 13.6 tp -59.98 -36.42 77.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.905 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.07 -59.15 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 567' ' ' VAL . 3.8 tp -51.93 -41.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.48 -57.34 19.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 561' ' ' LEU . 6.3 mt -53.81 -45.7 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.32 -39.79 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 563' ' ' LEU . 59.9 t -76.5 -34.32 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -65.0 -32.39 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 12.0 tpt85 -52.28 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 26.3 t -179.58 65.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.33 92.81 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 26.41 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.712 0.768 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 168.25 22.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.2 15.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 13.0 t 66.86 67.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.55 -33.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.46 -173.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -83.88 10.14 60.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -142.33 122.29 13.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.42 159.84 41.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.153 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.69 -44.97 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.11 -31.99 80.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.98 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.66 -55.07 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -59.13 -30.38 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.94 -47.45 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.637 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.9 t -59.57 -46.25 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' ILE . . . . . 0.41 HG12 HD12 ' B' ' 556' ' ' LEU . 11.6 tt -67.38 -29.66 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.423 ' O ' HD13 ' B' ' 557' ' ' LEU . 2.6 t80 -66.61 -50.19 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.14 -29.91 55.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.32 -42.05 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' LEU . . . . . 0.41 HD12 HG12 ' B' ' 552' ' ' ILE . 29.9 mt -72.56 -57.2 4.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.423 HD13 ' O ' ' B' ' 553' ' ' PHE . 6.8 mp -65.09 -27.95 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.24 -58.62 7.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.905 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -67.13 -42.35 84.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -54.17 -59.02 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.02 -39.39 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 562' ' ' LEU . 4.7 tp -60.18 -58.41 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.657 ' O ' HG23 ' B' ' 567' ' ' VAL . 2.6 tp -57.07 -39.26 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.63 -69.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.09 -27.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.65 -39.79 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 563' ' ' LEU . 21.7 t -80.57 -23.71 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -50.84 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -128.85 -7.89 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.84 55.42 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 20.92 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -179.35 -34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.657 0.741 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.64 33.82 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.408 ' O ' HG13 ' A' ' 539' ' ' VAL . 54.0 Cg_endo -69.72 -32.69 18.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 538' ' ' PRO . 3.4 m -154.87 175.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.49 -163.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.14 35.57 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 58.24 18.91 37.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -140.29 123.35 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.25 160.43 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.54 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.44 -46.0 45.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.33 80.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.94 -41.27 82.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.83 -55.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -59.43 -31.31 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.725 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.735 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.09 -49.08 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.99 -30.69 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.587 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -65.22 -52.69 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.48 -29.12 60.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.9 -42.53 66.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.66 -57.22 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.1 mt -66.93 -26.27 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.49 -58.28 8.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -70.1 -44.28 69.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.88 -59.81 3.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.18 -45.31 87.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.842 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -51.84 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 567' ' ' VAL . 3.9 tp -51.57 -42.75 62.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.58 -46.16 82.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 41.3 mm -64.0 -52.15 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.58 -31.35 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 563' ' ' LEU . 75.2 t -79.95 -35.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 2.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -118.41 -69.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.9 t -76.06 59.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -116.86 -68.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.07 31.24 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.064 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.653 0.739 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 162.93 40.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -21.33 33.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.418 HG22 ' N ' ' B' ' 540' ' ' SER . 9.4 p -175.56 159.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 540' ' ' SER . . . . . 0.418 ' N ' HG22 ' B' ' 539' ' ' VAL . 0.9 OUTLIER 63.67 -164.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 59.99 43.28 14.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.62 19.44 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.798 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -140.91 123.85 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -139.55 160.52 39.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.26 -46.21 43.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.51 -32.24 80.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 551' ' ' VAL . 3.9 mt-10 -68.04 -40.99 82.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.798 HD11 HD11 ' B' ' 543' ' ' LEU . 2.6 mp -67.15 -55.09 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.0 m -59.31 -31.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.88 -47.86 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.725 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.3 t -59.28 -49.39 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.63 -30.38 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.9 t80 -65.46 -53.65 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.27 61.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.57 -45.96 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.05 -57.09 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.8 mt -65.88 -25.27 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.33 -64.3 3.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.8 -41.88 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -50.79 -59.84 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 561' ' ' LEU . 4.0 tt -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.95 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -57.57 -60.3 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 4.4 tp -51.7 -37.5 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -59.54 -62.29 6.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.36 -32.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.66 -46.58 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 50.4 t -79.68 -24.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -68.72 -18.32 64.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -117.19 -22.84 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 4.0 m -76.03 57.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -103.88 21.68 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.701 0.763 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.84 164.82 33.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 p 179.09 143.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 544' ' ' THR . 1.2 m 63.04 -90.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 51.02 -169.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -87.24 15.96 51.04 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -152.29 123.62 7.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -140.82 160.27 40.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.9 -45.94 49.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.412 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.26 -32.2 79.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.98 -41.39 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.66 -55.34 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -58.97 -30.75 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.701 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.12 -47.41 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.724 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -60.4 -48.89 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.413 HG12 HD12 ' A' ' 556' ' ' LEU . 11.6 tt -63.64 -30.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.459 ' O ' HD13 ' A' ' 557' ' ' LEU . 2.6 t80 -65.17 -53.66 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.33 -27.28 64.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.06 -45.97 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 552' ' ' ILE . 28.7 mt -69.06 -57.48 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 553' ' ' PHE . 6.8 mp -62.3 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.24 -62.76 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.11 94.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.53 -59.89 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.0 -38.06 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.916 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -59.41 -54.37 47.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 563' ' ' LEU . 5.2 tt -55.25 -46.94 76.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -52.75 -60.04 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.09 -44.56 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.01 -48.08 64.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.72 -35.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.69 -19.9 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 23.57 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 8.2 t 63.37 82.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' ARG . . . . . 0.446 ' O ' ' HB1' ' B' ' 573' ' ' ALA . 69.2 mtt-85 -149.62 98.42 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -136.4 26.06 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 164.21 35.34 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.223 . . . . 0.0 112.404 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.408 HG22 ' N ' ' B' ' 540' ' ' SER . 8.2 p -177.38 160.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 540' ' ' SER . . . . . 0.408 ' N ' HG22 ' B' ' 539' ' ' VAL . 7.7 t 65.02 60.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -151.19 -175.53 5.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -74.84 0.74 56.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.543 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -137.73 122.42 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.706 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.2 160.01 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.531 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.46 -45.51 45.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.7 -32.52 81.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.403 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -67.84 -41.17 83.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.706 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.94 -55.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.531 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.78 -31.49 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.724 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.39 -46.5 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.701 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.1 t -61.22 -48.81 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -64.18 -28.82 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.87 -53.91 27.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.54 -24.92 69.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.28 -47.25 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.69 -57.65 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.12 -57.94 7.17 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.458 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.916 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -66.76 -38.52 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.44 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.09 -37.82 78.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.841 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -60.98 -51.41 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' B' ' 566' ' ' LEU . 3.3 tp -63.79 -42.77 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.8 -60.88 8.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 45.3 mm -54.93 -38.3 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' B' ' 563' ' ' LEU . 21.3 mt -56.4 -44.37 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 40.1 t -79.57 -35.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.52 -22.4 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.5 20.63 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m 74.47 -59.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -121.43 -74.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 54.07 83.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 573' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 571' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 167.92 23.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -167.3 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 540' ' ' SER . 9.9 p -77.13 158.89 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 539' ' ' VAL . 5.1 t 63.86 20.3 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.93 38.31 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.65 17.86 43.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -159.04 122.72 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -141.51 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.55 -45.22 46.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.04 80.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -41.24 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.93 -55.91 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.3 m -57.31 -32.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -65.85 -49.46 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.693 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.7 t -58.3 -50.72 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 556' ' ' LEU . 10.2 tt -63.01 -27.06 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' A' ' 557' ' ' LEU . 5.2 t80 -67.12 -55.84 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.44 69.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.02 -52.6 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 552' ' ' ILE . 5.6 mp -66.14 -54.17 28.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.599 HD12 ' CE1' ' A' ' 553' ' ' PHE . 32.5 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.28 -63.31 4.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.578 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -42.76 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.26 -59.52 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -37.09 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -61.05 -59.05 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.81 -37.92 66.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.85 3.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.4 mm -50.76 -33.51 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.94 -46.13 91.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.53 -31.03 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.68 -18.73 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -116.35 -18.7 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 32.2 t -76.39 56.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -65.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 50.77 35.23 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 537' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' B' ' 543' ' ' LEU . 53.6 Cg_endo -69.83 167.74 23.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -166.26 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.442 HG22 ' H ' ' B' ' 540' ' ' SER . 4.0 p -95.56 164.8 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 540' ' ' SER . . . . . 0.442 ' H ' HG22 ' B' ' 539' ' ' VAL . 0.5 OUTLIER 66.25 14.94 9.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.21 -175.4 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -74.89 2.51 49.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.607 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -136.13 123.7 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -142.18 159.72 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.53 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.34 -45.67 44.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.5 -32.15 80.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -41.78 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.07 -55.27 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.53 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.97 -31.92 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.693 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -66.86 -50.44 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.4 t -57.41 -49.73 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.53 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' B' ' 557' ' ' LEU . 4.0 t80 -65.64 -53.89 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.69 -23.43 67.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.81 -46.28 46.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.24 -51.86 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.589 HD12 ' CE1' ' B' ' 553' ' ' PHE . 21.7 mt -69.61 -28.86 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.68 -56.47 12.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.08 -42.49 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.46 -59.55 4.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.75 -44.27 85.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.733 HD23 HD13 ' A' ' 562' ' ' LEU . 5.0 tp -53.53 -60.47 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 567' ' ' VAL . 5.5 tp -51.21 -37.58 47.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.97 -43.3 99.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.463 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 44.4 mm -66.46 -48.2 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.34 -42.32 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 563' ' ' LEU . 59.0 t -64.51 -50.59 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.11 -24.18 67.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.17 -56.72 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.74 46.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.21 4.96 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 536' ' ' SER . . . . . 0.724 ' HB3' HD12 ' A' ' 543' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 163.09 39.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 539' ' ' VAL . 53.1 Cg_endo -69.81 66.42 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 538' ' ' PRO . 0.2 OUTLIER 49.69 -169.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 540' ' ' SER . . . . . 0.449 ' H ' HG12 ' A' ' 539' ' ' VAL . 0.2 OUTLIER 64.33 19.91 11.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -128.05 -172.17 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -80.04 5.9 61.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' A' ' 536' ' ' SER . 3.4 tm? -141.17 122.24 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.715 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.29 159.94 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 545' ' ' GLY . . . . . 0.535 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.72 -45.19 48.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.99 -32.0 80.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.25 -42.09 80.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.83 -55.15 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.06 -30.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.75 -48.46 63.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 47.8 t -58.79 -47.51 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ILE . . . . . 0.421 HG12 HD12 ' A' ' 556' ' ' LEU . 12.0 tt -65.64 -30.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.2 -51.8 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.74 -31.38 60.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.84 -43.68 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 552' ' ' ILE . 29.1 mt -70.79 -64.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.97 -29.19 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.43 -63.79 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ALA . . . . . 0.911 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.23 -43.75 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.5 tp -58.78 -36.51 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.823 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.85 -55.95 26.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 567' ' ' VAL . 5.0 tp -54.4 -41.62 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -57.32 -59.68 10.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.71 -50.9 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 111.109 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.403 HD13 HD13 ' B' ' 566' ' ' LEU . 16.9 mt -53.08 -42.61 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.8 t -73.33 -26.34 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.66 -24.37 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 4.3 t -171.29 56.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -163.74 46.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.88 60.55 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 536' ' ' SER . . . . . 0.448 ' HB3' HD12 ' B' ' 543' ' ' LEU . 3.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.619 0.724 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.86 67.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 538' ' ' PRO . . . . . 0.413 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.3 Cg_endo -69.7 -29.1 24.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 539' ' ' VAL . . . . . 0.413 HG13 ' O ' ' B' ' 538' ' ' PRO . 3.5 m -155.13 -178.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.98 -159.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.41 -174.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -83.9 17.25 27.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -135.79 124.62 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 544' ' ' THR . . . . . 0.711 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -142.11 159.95 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.44 -45.57 45.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.04 80.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.401 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.48 -41.33 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 548' ' ' ILE . . . . . 0.711 HD12 ' O ' ' B' ' 544' ' ' THR . 2.6 mp -66.43 -55.46 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.43 -31.13 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -48.63 64.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -58.61 -48.9 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -64.48 -30.22 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 553' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.0 t80 -64.65 -53.1 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.32 -29.31 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -71.52 -43.03 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.98 -55.88 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 557' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.1 mt -67.02 -26.48 66.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.46 -62.86 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 559' ' ' ALA . . . . . 0.823 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.68 -43.43 93.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.25 -59.25 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.0 -36.51 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.911 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -60.8 -56.35 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 563' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 567' ' ' VAL . 5.1 tp -53.89 -43.61 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.43 -61.62 7.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.44 -40.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 566' ' ' LEU . 16.5 mt -55.32 -48.78 73.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 567' ' ' VAL . . . . . 0.5 HG13 ' NE ' ' B' ' 572' ' ' ARG . 21.9 t -73.55 -34.74 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.3 -21.32 61.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 22.9 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 4.3 t 54.27 62.56 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -176.16 117.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 572' ' ' ARG . . . . . 0.5 ' NE ' HG13 ' B' ' 567' ' ' VAL . 0.0 OUTLIER -154.07 36.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.67 160.39 40.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.69 -45.55 47.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.34 81.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -68.03 -41.07 82.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -67.05 -55.19 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.04 -31.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.22 -47.7 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 56.7 t -59.56 -48.59 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.47 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -65.14 -53.12 49.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.36 -28.55 61.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.19 -44.21 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.92 -54.65 17.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.7 mt -68.59 -25.38 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.47 -62.6 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.408 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -43.73 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.39 -35.65 74.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.96 -57.25 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.2 -42.0 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.521 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -139.86 122.11 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.702 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.19 159.9 41.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.32 -45.65 44.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.544 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.23 80.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.99 -41.38 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.702 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.71 -55.35 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.9 -30.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.76 -48.1 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -59.61 -46.91 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.88 -30.6 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.76 -50.59 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.99 -29.85 58.32 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.91 -41.1 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 556' ' ' LEU . 28.4 mt -73.63 -61.84 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.15 -28.77 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.08 -57.16 7.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.97 -40.07 79.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.315 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.25 -59.83 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.55 -39.82 81.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.851 HD23 HD13 ' A' ' 562' ' ' LEU . 4.1 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.011 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.57 HD21 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.712 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.45 159.83 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.6 -45.35 47.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.77 -32.03 80.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -42.17 79.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.62 -55.23 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -30.28 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.714 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.71 -47.97 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.8 t -59.28 -47.4 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 11.7 tt -65.83 -30.18 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.511 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.4 t80 -66.86 -51.45 55.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.86 -29.62 60.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.0 tp -72.28 -45.06 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.5 mt -69.1 -60.61 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 553' ' ' PHE . 7.2 mp -60.94 -28.25 68.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.63 -64.49 3.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.15 -41.08 97.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.75 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.93 -36.17 76.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.909 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.45 -59.35 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.28 -39.72 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.82 122.49 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.708 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.56 159.83 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.541 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.58 -45.26 47.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.01 80.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.38 -41.52 80.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.708 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.27 -55.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.41 -30.88 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.57 -48.06 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.714 HG23 ' HB1' ' A' ' 550' ' ' ALA . 61.1 t -59.11 -48.19 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.98 -30.54 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -64.72 -52.26 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.6 -28.05 60.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -40.88 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.8 -55.47 7.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.9 mt -68.8 -24.98 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.8 -57.07 7.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.909 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -41.1 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.84 -59.08 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.84 -38.27 78.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.796 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.882 0.372 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.46 160.03 40.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.58 -45.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.15 80.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -41.45 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.43 -55.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.37 -31.01 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.736 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.39 -48.81 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.744 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.4 t -58.41 -48.5 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.78 -30.62 50.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -64.45 -52.3 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.34 -28.79 59.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.14 -40.48 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.22 -57.0 4.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -67.2 -26.07 66.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.95 -57.24 7.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.949 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -69.19 -42.18 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.57 -59.8 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 17.5 tp -58.01 -39.5 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.809 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -57.99 -49.88 75.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.47 122.78 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.701 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.64 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.528 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.76 -45.44 48.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.493 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.0 80.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.701 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.72 -55.32 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.528 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.82 -30.73 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.744 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.15 -48.67 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.736 HG23 ' HB1' ' A' ' 550' ' ' ALA . 48.0 t -58.58 -48.41 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.91 -29.99 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -66.18 -52.93 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.8 -29.96 62.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.78 -45.95 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.18 -57.73 7.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.5 mt -67.4 -23.3 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.16 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.67 -43.13 90.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.84 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.83 -37.48 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.949 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.974 0.416 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.39 159.98 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.57 -45.5 46.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.23 81.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.58 81.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.45 -55.33 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -31.17 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.82 -47.56 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.7 -49.15 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.0 -29.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.0 t80 -65.67 -53.53 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.69 60.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.16 -45.68 66.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.1 -57.8 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 553' ' ' PHE . 22.7 mt -65.15 -24.95 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.87 -65.08 3.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.93 -41.94 95.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.89 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.49 -36.91 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.84 -58.42 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.6 tp -55.45 -38.14 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.213 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.81 122.62 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.61 160.13 40.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.532 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.68 -45.7 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.53 -32.39 81.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.78 -41.64 82.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.51 -55.35 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.532 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -59.05 -31.14 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -47.91 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.4 t -59.15 -48.88 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.36 -30.18 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -65.73 -52.54 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.58 -29.58 59.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.54 -41.53 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.43 -57.91 4.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -66.41 -25.49 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.76 -58.64 7.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.59 -43.86 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -53.9 -59.58 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 53.3 tp -58.15 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.806 HD23 HD13 ' A' ' 562' ' ' LEU . 4.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.725 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.81 160.37 40.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.8 -45.16 49.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.19 -32.01 81.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.562 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.07 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.77 -55.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.26 -31.24 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.702 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.08 -49.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.5 t -57.73 -49.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.63 -30.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -63.99 -53.83 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.79 61.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.91 -45.92 63.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.47 -57.88 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -65.95 -24.23 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.2 -64.43 3.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.98 -44.3 85.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.17 -59.69 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.27 -35.84 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.971 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -61.85 -57.22 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.71 -38.48 64.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.87 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.53 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -157.61 122.64 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.49 159.9 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.7 -45.31 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.81 -32.06 80.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.35 -41.95 79.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.97 -55.18 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.87 -30.59 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.4 -48.54 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.702 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.3 t -58.68 -47.72 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -65.61 -30.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.612 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -66.47 -51.82 52.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.5 -28.76 60.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.0 -41.45 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.09 -57.39 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.612 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -68.23 -25.98 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.69 -58.67 8.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.35 -43.87 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.094 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.16 -59.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.04 -43.96 87.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.678 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.85 160.19 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.43 -45.72 45.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.37 81.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.505 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.91 -41.26 82.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.85 -55.27 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.05 -31.31 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.717 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.91 -47.76 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.757 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.6 t -59.53 -48.44 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.4 tt -64.93 -29.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.2 t80 -65.6 -53.03 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.37 -29.84 59.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.87 -42.65 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 556' ' ' LEU . 24.0 mt -69.1 -55.44 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.3 mt -66.79 -26.46 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.66 -61.68 5.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.74 -44.03 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.28 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.26 -36.64 75.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.922 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -60.55 -54.52 44.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.17 -39.72 72.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.526 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -157.02 122.7 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -141.57 160.11 40.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.542 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.6 -45.46 47.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.25 81.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -68.03 -41.39 82.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.836 0.351 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.75 -55.61 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.26 -30.85 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.28 -48.32 65.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.717 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.9 -48.37 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . 0.416 HG12 HD12 ' B' ' 556' ' ' LEU . 12.5 tt -64.74 -30.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.94 -51.94 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.73 59.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.47 -43.22 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.416 HD12 HG12 ' B' ' 552' ' ' ILE . 33.5 mt -71.23 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 557' ' ' LEU . 4.3 mm? -56.14 -29.45 60.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.7 -64.49 3.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.922 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.33 -45.25 88.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.13 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.48 -34.45 70.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.714 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.65 -45.47 47.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.499 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.16 80.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.15 -42.3 80.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.33 -30.99 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.658 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.65 -49.29 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.0 t -58.72 -48.63 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.441 HG12 HD22 ' A' ' 556' ' ' LEU . 12.3 tt -64.26 -29.43 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.507 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.6 t80 -66.23 -54.35 26.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.03 -26.33 69.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.62 -51.7 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 552' ' ' ILE . 5.5 mp -67.14 -56.88 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.507 HD22 ' CE1' ' A' ' 553' ' ' PHE . 6.7 mp -62.36 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.56 -62.12 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.8 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.42 -38.99 85.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.93 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 4.7 tp -53.08 -37.82 61.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.513 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.522 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -158.79 122.46 3.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.58 159.98 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.67 -45.31 47.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.92 -32.16 81.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.469 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.13 -41.6 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.32 -55.34 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.69 -31.18 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.16 -48.79 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.658 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.25 -48.55 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -65.06 -29.7 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.2 t80 -65.11 -52.6 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.64 -28.6 59.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.87 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.69 -56.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.6 mt -66.55 -29.04 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.59 -55.06 12.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.93 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -42.06 76.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.44 -59.94 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.89 -40.2 79.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.737 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.84 -45.12 49.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.01 80.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.33 -42.17 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.93 -30.59 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.64 -48.33 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.646 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -58.91 -47.31 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 12.2 tt -66.06 -30.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.455 ' HE1' HD22 ' A' ' 557' ' ' LEU . 2.5 t80 -66.04 -51.71 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.29 -30.24 58.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.11 -44.62 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.4 mt -69.84 -59.97 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 553' ' ' PHE . 7.0 mp -61.55 -28.58 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.74 -63.61 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.28 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.47 -59.61 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.98 -36.42 77.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.905 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.07 -59.15 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.93 -41.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -142.33 122.29 13.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.42 159.84 41.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.153 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.69 -44.97 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.11 -31.99 80.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.98 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.66 -55.07 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -59.13 -30.38 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.94 -47.45 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.637 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.9 t -59.57 -46.25 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . 0.41 HG12 HD12 ' B' ' 556' ' ' LEU . 11.6 tt -67.38 -29.66 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.423 ' O ' HD13 ' B' ' 557' ' ' LEU . 2.6 t80 -66.61 -50.19 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.14 -29.91 55.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.32 -42.05 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . 0.41 HD12 HG12 ' B' ' 552' ' ' ILE . 29.9 mt -72.56 -57.2 4.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.423 HD13 ' O ' ' B' ' 553' ' ' PHE . 6.8 mp -65.09 -27.95 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.24 -58.62 7.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.905 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -67.13 -42.35 84.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -54.17 -59.02 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.02 -39.39 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 562' ' ' LEU . 4.7 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.25 160.43 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.54 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.44 -46.0 45.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.33 80.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.94 -41.27 82.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.83 -55.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -59.43 -31.31 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.725 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.735 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.09 -49.08 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.99 -30.69 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.587 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -65.22 -52.69 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.48 -29.12 60.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.9 -42.53 66.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.66 -57.22 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.1 mt -66.93 -26.27 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.49 -58.28 8.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -70.1 -44.28 69.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.88 -59.81 3.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.18 -45.31 87.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.842 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -51.84 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 3.9 tp -51.57 -42.75 62.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.798 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -140.91 123.85 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -139.55 160.52 39.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.26 -46.21 43.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.51 -32.24 80.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 551' ' ' VAL . 3.9 mt-10 -68.04 -40.99 82.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.798 HD11 HD11 ' B' ' 543' ' ' LEU . 2.6 mp -67.15 -55.09 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.0 m -59.31 -31.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.88 -47.86 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.725 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.3 t -59.28 -49.39 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.63 -30.38 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.9 t80 -65.46 -53.65 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.27 61.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.57 -45.96 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.05 -57.09 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.8 mt -65.88 -25.27 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.33 -64.3 3.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.8 -41.88 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -50.79 -59.84 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 561' ' ' LEU . 4.0 tt -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.95 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.97 0.414 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -140.82 160.27 40.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.9 -45.94 49.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.412 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.26 -32.2 79.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.98 -41.39 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.66 -55.34 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -58.97 -30.75 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.701 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.12 -47.41 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.724 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -60.4 -48.89 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.413 HG12 HD12 ' A' ' 556' ' ' LEU . 11.6 tt -63.64 -30.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.459 ' O ' HD13 ' A' ' 557' ' ' LEU . 2.6 t80 -65.17 -53.66 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.33 -27.28 64.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.06 -45.97 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 552' ' ' ILE . 28.7 mt -69.06 -57.48 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 553' ' ' PHE . 6.8 mp -62.3 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.24 -62.76 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.11 94.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.53 -59.89 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.0 -38.06 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.916 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -59.41 -54.37 47.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 563' ' ' LEU . 5.2 tt -55.25 -46.94 76.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.543 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -137.73 122.42 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.706 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.2 160.01 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.531 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.46 -45.51 45.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.7 -32.52 81.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.403 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -67.84 -41.17 83.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.706 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.94 -55.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.531 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.78 -31.49 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.724 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.39 -46.5 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.701 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.1 t -61.22 -48.81 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -64.18 -28.82 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.87 -53.91 27.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.54 -24.92 69.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.28 -47.25 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.69 -57.65 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.12 -57.94 7.17 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.458 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.916 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -66.76 -38.52 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.44 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.09 -37.82 78.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.841 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -141.51 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.55 -45.22 46.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.04 80.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -41.24 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.93 -55.91 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.3 m -57.31 -32.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -65.85 -49.46 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.693 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.7 t -58.3 -50.72 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 556' ' ' LEU . 10.2 tt -63.01 -27.06 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' A' ' 557' ' ' LEU . 5.2 t80 -67.12 -55.84 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.44 69.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.02 -52.6 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 552' ' ' ILE . 5.6 mp -66.14 -54.17 28.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.599 HD12 ' CE1' ' A' ' 553' ' ' PHE . 32.5 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.28 -63.31 4.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.578 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -42.76 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.26 -59.52 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -37.09 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -61.05 -59.05 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.81 -37.92 66.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.607 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -136.13 123.7 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -142.18 159.72 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.53 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.34 -45.67 44.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.5 -32.15 80.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -41.78 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.07 -55.27 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.53 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.97 -31.92 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.693 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -66.86 -50.44 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.4 t -57.41 -49.73 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.53 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' B' ' 557' ' ' LEU . 4.0 t80 -65.64 -53.89 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.69 -23.43 67.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.81 -46.28 46.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.24 -51.86 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.589 HD12 ' CE1' ' B' ' 553' ' ' PHE . 21.7 mt -69.61 -28.86 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.68 -56.47 12.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.08 -42.49 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.46 -59.55 4.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.75 -44.27 85.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.733 HD23 HD13 ' A' ' 562' ' ' LEU . 5.0 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.715 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.29 159.94 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . 0.535 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.72 -45.19 48.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.99 -32.0 80.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.25 -42.09 80.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.83 -55.15 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.06 -30.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.75 -48.46 63.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 47.8 t -58.79 -47.51 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' ILE . . . . . 0.421 HG12 HD12 ' A' ' 556' ' ' LEU . 12.0 tt -65.64 -30.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.2 -51.8 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.74 -31.38 60.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.84 -43.68 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 552' ' ' ILE . 29.1 mt -70.79 -64.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.97 -29.19 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.43 -63.79 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ALA . . . . . 0.911 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.23 -43.75 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.5 tp -58.78 -36.51 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.823 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.85 -55.95 26.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.4 -41.62 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.891 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -135.79 124.62 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 544' ' ' THR . . . . . 0.711 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -142.11 159.95 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.44 -45.57 45.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.04 80.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.401 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.48 -41.33 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 548' ' ' ILE . . . . . 0.711 HD12 ' O ' ' B' ' 544' ' ' THR . 2.6 mp -66.43 -55.46 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.43 -31.13 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -48.63 64.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -58.61 -48.9 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -64.48 -30.22 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 553' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.0 t80 -64.65 -53.1 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.32 -29.31 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -71.52 -43.03 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.98 -55.88 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 557' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.1 mt -67.02 -26.48 66.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.46 -62.86 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 559' ' ' ALA . . . . . 0.823 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.68 -43.43 93.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.25 -59.25 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.0 -36.51 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.911 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.659 0.743 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . 0.424 ' CD ' HD12 ' A' ' 543' ' ' LEU . 54.5 Cg_endo -69.78 167.41 24.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -34.62 14.08 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.601 2.201 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.65 171.18 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 5.4 m 50.33 -164.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.06 29.73 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.52 19.68 35.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -142.27 123.38 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.67 160.39 40.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.69 -45.55 47.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.8 -32.34 81.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.533 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -68.03 -41.07 82.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -67.05 -55.19 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.04 -31.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.22 -47.7 67.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 56.7 t -59.56 -48.59 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.47 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.56 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -65.14 -53.12 49.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.36 -28.55 61.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.19 -44.21 63.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.92 -54.65 17.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.7 mt -68.59 -25.38 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.47 -62.6 4.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.408 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -43.73 89.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.9 tp -59.39 -35.65 74.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.96 -57.25 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.2 -42.0 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.52 7.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.9 mm -51.6 -35.6 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.459 HD13 HD13 ' B' ' 566' ' ' LEU . 19.2 mt -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.33 -25.05 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -81.45 -22.17 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 47.1 t -175.23 60.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -173.44 45.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.39 62.59 4.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.048 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.643 0.735 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 164.6 33.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.437 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . 0.61 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.744 2.296 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.61 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.0 OUTLIER -166.58 -179.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 9.6 m 64.35 25.63 13.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -138.68 -173.89 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -78.59 4.11 61.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.521 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -139.86 122.11 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.702 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.19 159.9 41.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.32 -45.65 44.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.544 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.23 80.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.509 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.99 -41.38 82.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.702 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.71 -55.35 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.9 -30.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.76 -48.1 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -59.61 -46.91 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.88 -30.6 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.76 -50.59 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.99 -29.85 58.32 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.4 tp -71.91 -41.1 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 556' ' ' LEU . 28.4 mt -73.63 -61.84 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.15 -28.77 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.08 -57.16 7.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.434 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.97 -40.07 79.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.315 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.25 -59.83 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.55 -39.82 81.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.851 HD23 HD13 ' A' ' 562' ' ' LEU . 4.1 tp -57.02 -47.95 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.011 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 567' ' ' VAL . 0.9 OUTLIER -61.43 -44.84 96.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -54.61 -58.28 13.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 6.7 mt -54.08 -40.06 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.459 HD13 HD13 ' A' ' 566' ' ' LEU . 58.2 mt -60.92 -36.68 79.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 563' ' ' LEU . 22.3 t -73.01 -37.39 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -77.06 -18.41 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -51.51 -58.16 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 5.0 t -170.96 44.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -166.65 46.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . 0.555 ' HA ' HG12 ' B' ' 567' ' ' VAL . 0.5 OUTLIER -81.05 65.39 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 543' ' ' LEU . 54.0 Cg_endo -69.76 166.16 28.52 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 540' ' ' SER . 9.4 p -176.86 159.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 539' ' ' VAL . 8.2 t 65.47 57.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -151.12 -175.55 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -75.92 1.8 57.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.635 HD12 ' HD2' ' A' ' 537' ' ' PRO . 3.4 tm? -138.39 122.44 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.712 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.45 159.83 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.6 -45.35 47.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.511 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.77 -32.03 80.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -42.17 79.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.62 -55.23 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -30.28 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.714 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.71 -47.97 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.8 t -59.28 -47.4 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 11.7 tt -65.83 -30.18 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.511 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.4 t80 -66.86 -51.45 55.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.86 -29.62 60.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.0 tp -72.28 -45.06 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.5 mt -69.1 -60.61 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 553' ' ' PHE . 7.2 mp -60.94 -28.25 68.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.63 -64.49 3.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.15 -41.08 97.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.75 3.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.93 -36.17 76.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.909 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.45 -59.35 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 567' ' ' VAL . 3.6 tp -53.28 -39.72 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.65 -64.64 4.13 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 45.7 mm -50.46 -32.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.368 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 566' ' ' LEU . 16.0 mt -64.24 -42.54 96.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 563' ' ' LEU . 21.1 t -76.76 -38.02 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.39 -23.21 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -92.66 19.23 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.6 t 64.94 80.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -148.53 -44.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 58.41 37.58 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.522 ' HB2' HH22 ' B' ' 571' ' ' ARG . . . . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.682 0.754 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.74 30.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.275 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.7 p -176.4 157.02 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 1.7 t 63.55 59.22 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -151.9 35.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.34 16.95 45.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.82 122.49 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.708 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.56 159.83 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.541 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.58 -45.26 47.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.0 -32.01 80.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.38 -41.52 80.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.708 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.27 -55.49 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.541 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.41 -30.88 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.57 -48.06 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.714 HG23 ' HB1' ' A' ' 550' ' ' ALA . 61.1 t -59.11 -48.19 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.6 tt -64.98 -30.54 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -64.72 -52.26 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.6 -28.05 60.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.68 -40.88 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.811 0.339 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.8 -55.47 7.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.9 mt -68.8 -24.98 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.8 -57.07 7.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.909 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -41.1 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.178 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.84 -59.08 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.84 -38.27 78.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.796 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -59.84 -49.61 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.717 ' O ' HG23 ' B' ' 567' ' ' VAL . 1.4 tp -62.95 -46.41 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -52.01 -61.74 6.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.71 -46.31 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 58.5 mt -55.52 -31.42 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 563' ' ' LEU . 59.5 t -76.17 -36.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.79 -18.69 60.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -51.54 -62.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.94 50.92 0.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . 0.522 HH22 ' HB2' ' A' ' 573' ' ' ALA . 0.0 OUTLIER -179.21 54.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -60.8 -18.41 55.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.69 0.757 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 167.81 23.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.779 2.32 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.39 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 540' ' ' SER . 5.2 t -77.13 158.72 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 539' ' ' VAL . 0.3 OUTLIER 63.92 20.6 12.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -113.15 38.2 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.55 17.84 42.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.541 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -159.16 122.75 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.46 160.03 40.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.58 -45.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.15 80.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.21 -41.45 81.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.43 -55.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.183 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.37 -31.01 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.736 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.39 -48.81 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.744 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.4 t -58.41 -48.5 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.78 -30.62 50.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.8 t80 -64.45 -52.3 58.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.34 -28.79 59.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.14 -40.48 68.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.22 -57.0 4.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -67.2 -26.07 66.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.95 -57.24 7.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.949 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -69.19 -42.18 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.57 -59.8 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 17.5 tp -58.01 -39.5 78.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.809 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -57.99 -49.88 75.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.695 ' O ' HG23 ' A' ' 567' ' ' VAL . 0.8 OUTLIER -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -53.0 -63.01 5.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 51.1 mm -51.76 -42.39 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.095 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.36 -32.01 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 563' ' ' LEU . 65.3 t -74.8 -45.55 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.38 -29.34 67.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -52.49 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 3.1 m -168.79 63.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -136.31 -57.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.7 29.26 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.741 0.781 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . 0.763 ' HD2' HD12 ' B' ' 543' ' ' LEU . 54.4 Cg_endo -69.83 164.86 33.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.623 2.215 . . . . 0.0 112.369 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.763 2.309 . . . . 0.0 112.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.0 p -176.44 156.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.3 t 63.36 53.3 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -151.86 36.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.07 17.26 44.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.763 HD12 ' HD2' ' B' ' 537' ' ' PRO . 3.4 tm? -159.47 122.78 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.701 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.64 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.528 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.76 -45.44 48.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.493 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.0 80.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.701 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.72 -55.32 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.528 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -58.82 -30.73 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.744 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.15 -48.67 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.736 HG23 ' HB1' ' A' ' 550' ' ' ALA . 48.0 t -58.58 -48.41 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.5 tt -64.91 -29.99 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -66.18 -52.93 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.8 -29.96 62.41 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.78 -45.95 59.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.18 -57.73 7.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.5 mt -67.4 -23.3 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.16 3.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.67 -43.13 90.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.84 3.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.83 -37.48 76.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.949 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -59.7 -56.14 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.573 ' O ' HG23 ' B' ' 567' ' ' VAL . 4.9 tp -53.97 -44.74 71.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -54.87 -60.64 8.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.6 mm -51.33 -46.96 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.6 mt -52.82 -42.76 65.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 563' ' ' LEU . 22.1 t -79.82 -13.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -91.22 -13.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -94.3 -74.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 22.8 t -76.11 59.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.41 12.62 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.97 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.747 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . 0.63 ' HD2' HD12 ' A' ' 543' ' ' LEU . 53.4 Cg_endo -69.83 166.39 27.85 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.629 2.219 . . . . 0.0 112.363 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.34 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 540' ' ' SER . 9.1 p -176.84 159.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 539' ' ' VAL . 7.4 t 65.37 57.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -151.34 -175.44 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -75.95 1.45 59.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.63 HD12 ' HD2' ' A' ' 537' ' ' PRO . 3.4 tm? -138.06 122.55 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.974 0.416 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.721 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.39 159.98 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.57 -45.5 46.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.79 -32.23 81.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.03 -41.58 81.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.45 -55.33 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.01 -31.17 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.727 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.82 -47.56 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.7 -49.15 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -64.0 -29.95 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.0 t80 -65.67 -53.53 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.69 60.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.16 -45.68 66.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.1 -57.8 6.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 553' ' ' PHE . 22.7 mt -65.15 -24.95 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.87 -65.08 3.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -64.93 -41.94 95.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.89 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.1 tp -59.49 -36.91 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.988 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.84 -58.42 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.6 tp -55.45 -38.14 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.55 -65.94 3.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 46.5 mm -50.65 -34.03 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.31 -46.27 90.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 63.8 t -79.41 -30.9 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.6 -18.87 55.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -116.43 -18.48 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 31.8 t -76.33 56.32 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.19 -65.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 50.56 32.75 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.601 0.715 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 165.46 30.84 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.99 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.753 2.302 . . . . 0.0 112.297 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 8.2 p -176.55 156.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 4.9 t 63.57 58.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.88 35.47 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.66 16.7 46.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.428 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.524 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -159.81 122.62 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.61 160.13 40.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.532 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.68 -45.7 47.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.53 -32.39 81.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.78 -41.64 82.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.51 -55.35 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.532 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -59.05 -31.14 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -47.91 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.727 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.4 t -59.15 -48.88 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.7 tt -64.36 -30.18 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.8 t80 -65.73 -52.54 50.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.58 -29.58 59.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.54 -41.53 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.43 -57.91 4.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -66.41 -25.49 66.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -67.76 -58.64 7.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.988 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.59 -43.86 71.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 111.055 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -53.9 -59.58 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 53.3 tp -58.15 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.806 HD23 HD13 ' A' ' 562' ' ' LEU . 4.2 tp -56.48 -49.67 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.58 ' HA ' HD12 ' B' ' 566' ' ' LEU . 0.8 OUTLIER -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.79 -59.64 10.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 50.5 mm -51.8 -36.79 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' B' ' 563' ' ' LEU . 24.1 mt -60.8 -48.14 83.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.61 -24.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -71.33 -22.03 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -73.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.93 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.09 -74.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 51.93 68.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.682 0.753 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . 0.436 ' CD ' HD12 ' A' ' 543' ' ' LEU . 53.3 Cg_endo -69.83 167.51 24.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.96 13.52 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.56 170.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 5.1 m 50.36 -164.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.1 30.14 19.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.65 19.62 35.92 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.679 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -143.26 123.38 13.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.725 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.81 160.37 40.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.8 -45.16 49.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.19 -32.01 81.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.562 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.07 80.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.725 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.77 -55.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.26 -31.24 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.702 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.08 -49.72 59.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.748 HG23 ' HB1' ' B' ' 550' ' ' ALA . 53.5 t -57.73 -49.4 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.63 -30.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -63.99 -53.83 43.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.29 -29.79 61.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.91 -45.92 63.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 24.8 mt -66.47 -57.88 6.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.592 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.0 mt -65.95 -24.23 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.2 -64.43 3.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.98 -44.3 85.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.17 -59.69 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.27 -35.84 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.971 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -61.85 -57.22 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.71 -38.48 64.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.53 -63.36 5.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.75 -30.93 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.57 -47.16 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 46.7 t -79.71 -21.37 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -71.73 -19.25 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -117.18 -19.64 9.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 15.6 m -77.12 56.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.62 -66.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.31 34.47 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.634 0.731 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.91 40.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . 0.585 ' O ' HG13 ' B' ' 539' ' ' VAL . 53.4 Cg_endo -69.78 -50.95 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.585 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.1 OUTLIER -163.0 177.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.1 t 59.97 42.53 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -151.86 37.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.9 17.44 43.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.53 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -157.61 122.64 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.49 159.9 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.537 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.7 -45.31 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.81 -32.06 80.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.35 -41.95 79.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.97 -55.18 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.537 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.87 -30.59 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.748 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.4 -48.54 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.702 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.3 t -58.68 -47.72 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.3 tt -65.61 -30.03 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.612 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.7 t80 -66.47 -51.82 52.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.5 -28.76 60.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.0 -41.45 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.09 -57.39 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.612 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.4 mt -68.23 -25.98 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.69 -58.67 8.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.532 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.35 -43.87 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.094 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.16 -59.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.04 -43.96 87.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -53.3 -57.7 9.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.668 ' O ' HG23 ' B' ' 567' ' ' VAL . 2.7 tp -52.59 -43.01 65.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.82 89.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.8 mm -65.31 -52.52 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.71 -30.8 34.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 563' ' ' LEU . 94.0 t -79.34 -40.45 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -66.21 -19.82 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.93 -64.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 2.4 m -169.12 66.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -178.51 48.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -18.2 53.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.647 0.737 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . 0.441 ' CD ' HD12 ' A' ' 543' ' ' LEU . 53.4 Cg_endo -69.84 167.52 24.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.05 13.39 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.53 170.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 2.5 t 50.24 -164.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.0 30.2 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.69 19.54 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.678 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -143.09 123.39 13.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.85 160.19 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.43 -45.72 45.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.37 81.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.505 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.91 -41.26 82.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.85 -55.27 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.05 -31.31 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.717 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.91 -47.76 67.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.757 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.6 t -59.53 -48.44 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.4 tt -64.93 -29.54 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.529 ' CE1' HD12 ' A' ' 557' ' ' LEU . 3.2 t80 -65.6 -53.03 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.37 -29.84 59.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.87 -42.65 69.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 556' ' ' LEU . 24.0 mt -69.1 -55.44 10.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.3 mt -66.79 -26.46 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.66 -61.68 5.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.787 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.74 -44.03 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.28 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.26 -36.64 75.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.922 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -60.55 -54.52 44.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.697 ' O ' HG23 ' A' ' 567' ' ' VAL . 4.3 tp -56.17 -39.72 72.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.23 -60.19 9.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.6 mm -51.42 -40.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.06 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.1 t -79.48 -28.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -83.53 -24.06 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.96 -63.16 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 46.6 t -175.71 59.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -173.73 44.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.46 66.07 4.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.689 0.757 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 162.44 42.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.387 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . 0.579 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.4 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.439 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.579 HG13 ' O ' ' B' ' 538' ' ' PRO . 0.1 OUTLIER -162.26 178.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.139 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 2.9 t 60.22 41.71 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.91 37.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.88 17.38 43.0 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.539 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.526 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -157.02 122.7 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -141.57 160.11 40.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.542 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.6 -45.46 47.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.25 81.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.419 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -68.03 -41.39 82.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.836 0.351 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.75 -55.61 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.26 -30.85 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.757 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.28 -48.32 65.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.051 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.717 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.9 -48.37 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . 0.416 HG12 HD12 ' B' ' 556' ' ' LEU . 12.5 tt -64.74 -30.52 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.94 -51.94 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.73 59.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.47 -43.22 70.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.416 HD12 HG12 ' B' ' 552' ' ' ILE . 33.5 mt -71.23 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' B' ' 557' ' ' LEU . 4.3 mm? -56.14 -29.45 60.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.7 -64.49 3.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.922 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.33 -45.25 88.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.13 -59.87 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . 0.412 ' O ' HD12 ' B' ' 565' ' ' ILE . 51.7 tp -58.48 -34.45 70.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.787 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -63.72 -57.9 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 6.3 tp -52.97 -38.0 61.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.99 9.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . 0.412 HD12 ' O ' ' B' ' 561' ' ' LEU . 7.3 mt -55.84 -26.7 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.88 -45.94 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 98.5 t -77.99 -35.57 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -54.38 -25.95 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -110.74 -13.64 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 5.9 m -52.89 -58.32 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 73.8 -62.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.22 26.64 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.685 0.755 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.1 35.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.731 2.287 . . . . 0.0 112.351 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.43 ' C ' HG23 ' A' ' 539' ' ' VAL . 53.7 Cg_endo -69.66 62.56 1.72 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 540' ' ' SER . 1.4 t 58.31 171.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.04 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . 0.537 ' H ' HG12 ' A' ' 539' ' ' VAL . 2.1 t 65.97 49.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -152.65 35.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.2 17.19 44.74 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -159.45 122.62 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.714 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.65 -45.47 47.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.499 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.73 -32.16 80.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.15 -42.3 80.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.07 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.33 -30.99 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.658 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -67.65 -49.29 63.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 49.0 t -58.72 -48.63 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.441 HG12 HD22 ' A' ' 556' ' ' LEU . 12.3 tt -64.26 -29.43 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.507 ' CE1' HD22 ' A' ' 557' ' ' LEU . 2.6 t80 -66.23 -54.35 26.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.03 -26.33 69.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.62 -51.7 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 552' ' ' ILE . 5.5 mp -67.14 -56.88 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.507 HD22 ' CE1' ' A' ' 553' ' ' PHE . 6.7 mp -62.36 -27.56 69.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.56 -62.12 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.24 -59.8 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.42 -38.99 85.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.93 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 567' ' ' VAL . 4.7 tp -53.08 -37.82 61.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -59.39 -49.77 75.0 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 43.2 mm -60.6 -44.74 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.585 HD23 HD23 ' A' ' 562' ' ' LEU . 3.1 mm? -60.87 -33.43 73.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 563' ' ' LEU . 87.9 t -79.78 -42.62 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -51.79 -31.51 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -104.25 -16.21 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 12.1 t -52.42 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 73.72 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.85 30.0 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.21 22.15 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.747 2.298 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -5.25 15.74 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.337 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 9.1 t 67.45 155.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.47 23.61 12.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -121.53 36.44 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.9 16.86 48.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.522 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -158.79 122.46 3.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.707 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.58 159.98 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.67 -45.31 47.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.92 -32.16 81.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.469 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.13 -41.6 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.32 -55.34 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.69 -31.18 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.16 -48.79 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.658 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.9 t -58.25 -48.55 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -65.06 -29.7 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.2 t80 -65.11 -52.6 54.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -76.64 -28.6 59.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.9 tp -71.87 -39.0 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.69 -56.36 5.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.6 mt -66.55 -29.04 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.59 -55.06 12.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.93 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -69.21 -42.06 76.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -55.44 -59.94 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.89 -40.2 79.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.737 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -57.11 -50.29 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.714 ' O ' HG23 ' B' ' 567' ' ' VAL . 0.9 OUTLIER -58.79 -46.24 88.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.33 -57.9 16.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 51.1 mm -55.66 -39.49 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.76 -35.69 78.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.714 HG23 ' O ' ' B' ' 563' ' ' LEU . 51.2 t -73.77 -38.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.37 -27.84 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -65.71 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 8.9 t -173.51 64.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -143.21 -62.09 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 55.73 40.98 30.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.654 0.74 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 168.32 21.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.612 2.208 . . . . 0.0 112.386 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.66 -5.34 15.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.0 t 67.51 155.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 3.6 t 64.51 23.17 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -121.07 36.69 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 60.71 16.79 47.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.561 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.531 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -158.52 122.51 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.59 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.84 -45.12 49.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.01 80.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.33 -42.17 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.72 -55.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.2 m -58.93 -30.59 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.64 -48.33 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.646 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -58.91 -47.31 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 556' ' ' LEU . 12.2 tt -66.06 -30.18 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.455 ' HE1' HD22 ' A' ' 557' ' ' LEU . 2.5 t80 -66.04 -51.71 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.29 -30.24 58.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.11 -44.62 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.417 HD12 HG12 ' A' ' 552' ' ' ILE . 29.4 mt -69.84 -59.97 2.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.455 HD22 ' HE1' ' A' ' 553' ' ' PHE . 7.0 mp -61.55 -28.58 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.74 -63.61 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.28 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.734 0.302 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.47 -59.61 4.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 565' ' ' ILE . 13.6 tp -59.98 -36.42 77.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.905 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.4 tt -61.07 -59.15 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 567' ' ' VAL . 3.8 tp -51.93 -41.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.48 -57.34 19.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 561' ' ' LEU . 6.3 mt -53.81 -45.7 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.32 -39.79 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 563' ' ' LEU . 59.9 t -76.5 -34.32 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -65.0 -32.39 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 12.0 tpt85 -52.28 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 26.3 t -179.58 65.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -135.33 92.81 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.03 26.41 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.712 0.768 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 168.25 22.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.2 15.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . . . . . . . . . 13.0 t 66.86 67.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.55 -33.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.46 -173.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -83.88 10.14 60.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 543' ' ' LEU . 3.4 tm? -142.33 122.29 13.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.42 159.84 41.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.153 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.534 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.69 -44.97 48.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.11 -31.99 80.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -41.98 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -65.66 -55.07 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.2 m -59.13 -30.38 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.94 -47.45 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.637 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.9 t -59.57 -46.25 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . 0.41 HG12 HD12 ' B' ' 556' ' ' LEU . 11.6 tt -67.38 -29.66 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.423 ' O ' HD13 ' B' ' 557' ' ' LEU . 2.6 t80 -66.61 -50.19 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.14 -29.91 55.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -71.32 -42.05 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . 0.41 HD12 HG12 ' B' ' 552' ' ' ILE . 29.9 mt -72.56 -57.2 4.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.423 HD13 ' O ' ' B' ' 553' ' ' PHE . 6.8 mp -65.09 -27.95 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -68.24 -58.62 7.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.905 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -67.13 -42.35 84.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -54.17 -59.02 5.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.02 -39.39 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 562' ' ' LEU . 4.7 tp -60.18 -58.41 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.657 ' O ' HG23 ' B' ' 567' ' ' VAL . 2.6 tp -57.07 -39.26 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.63 -69.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.3 mm -51.09 -27.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.65 -39.79 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 563' ' ' LEU . 21.7 t -80.57 -23.71 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -50.84 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -128.85 -7.89 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.84 55.42 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 20.92 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -179.35 -34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.657 0.741 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.64 33.82 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.408 ' O ' HG13 ' A' ' 539' ' ' VAL . 54.0 Cg_endo -69.72 -32.69 18.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 538' ' ' PRO . 3.4 m -154.87 175.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.49 -163.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.14 35.57 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 58.24 18.91 37.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.708 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -140.29 123.35 16.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.716 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -140.25 160.43 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.54 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.44 -46.0 45.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.33 80.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 551' ' ' VAL . 4.0 mt-10 -67.94 -41.27 82.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.83 -55.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -59.43 -31.31 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.725 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.735 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.1 t -59.09 -49.08 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . . . . . . . . . 12.8 tt -63.99 -30.69 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.587 ' CE1' HD12 ' A' ' 557' ' ' LEU . 2.7 t80 -65.22 -52.69 53.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.48 -29.12 60.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.9 -42.53 66.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.66 -57.22 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.587 HD12 ' CE1' ' A' ' 553' ' ' PHE . 23.1 mt -66.93 -26.27 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.49 -58.28 8.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -70.1 -44.28 69.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.88 -59.81 3.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.18 -45.31 87.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.842 HD23 HD13 ' B' ' 562' ' ' LEU . 4.1 tp -51.84 -59.26 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 567' ' ' VAL . 3.9 tp -51.57 -42.75 62.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.58 -46.16 82.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 41.3 mm -64.0 -52.15 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.58 -31.35 24.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 563' ' ' LEU . 75.2 t -79.95 -35.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 2.61 48.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -118.41 -69.47 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 1.9 t -76.06 59.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -116.86 -68.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.07 31.24 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.064 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.653 0.739 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 162.93 40.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -21.33 33.86 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.418 HG22 ' N ' ' B' ' 540' ' ' SER . 9.4 p -175.56 159.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . 0.418 ' N ' HG22 ' B' ' 539' ' ' VAL . 0.9 OUTLIER 63.67 -164.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 59.99 43.28 14.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . 57.62 19.44 34.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.798 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -140.91 123.85 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.709 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -139.55 160.52 39.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.538 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.26 -46.21 43.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.533 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.51 -32.24 80.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 551' ' ' VAL . 3.9 mt-10 -68.04 -40.99 82.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.798 HD11 HD11 ' B' ' 543' ' ' LEU . 2.6 mp -67.15 -55.09 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.0 m -59.31 -31.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.735 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.88 -47.86 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.725 HG23 ' HB1' ' A' ' 550' ' ' ALA . 53.3 t -59.28 -49.39 83.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.63 -30.38 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' B' ' 557' ' ' LEU . 2.9 t80 -65.46 -53.65 39.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -74.23 -30.27 61.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.57 -45.96 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.05 -57.09 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' B' ' 553' ' ' PHE . 22.8 mt -65.88 -25.27 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.33 -64.3 3.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 562' ' ' LEU . . . -65.8 -41.88 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -50.79 -59.84 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 561' ' ' LEU . 4.0 tt -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.95 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -57.57 -60.3 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . . . . . . . . . 4.4 tp -51.7 -37.5 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -59.54 -62.29 6.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 40.3 mm -53.36 -32.29 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.66 -46.58 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 50.4 t -79.68 -24.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -68.72 -18.32 64.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -117.19 -22.84 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 4.0 m -76.03 57.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -103.88 21.68 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.701 0.763 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.84 164.82 33.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 3.6 p 179.09 143.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 544' ' ' THR . 1.2 m 63.04 -90.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 51.02 -169.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -87.24 15.96 51.04 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 548' ' ' ILE . 3.4 tm? -152.29 123.62 7.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.414 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -140.82 160.27 40.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.9 -45.94 49.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.412 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.26 -32.2 79.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.537 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.98 -41.39 82.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 544' ' ' THR . 2.6 mp -66.66 -55.34 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.0 m -58.97 -30.75 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.701 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.12 -47.41 68.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.724 HG23 ' HB1' ' B' ' 550' ' ' ALA . 54.3 t -60.4 -48.89 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.413 HG12 HD12 ' A' ' 556' ' ' LEU . 11.6 tt -63.64 -30.73 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.459 ' O ' HD13 ' A' ' 557' ' ' LEU . 2.6 t80 -65.17 -53.66 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.33 -27.28 64.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.06 -45.97 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 552' ' ' ILE . 28.7 mt -69.06 -57.48 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 553' ' ' PHE . 6.8 mp -62.3 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -65.24 -62.76 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.11 94.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.53 -59.89 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.0 -38.06 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.916 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -59.41 -54.37 47.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 563' ' ' LEU . 5.2 tt -55.25 -46.94 76.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -52.75 -60.04 8.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.09 -44.56 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 16.9 mt -52.01 -48.08 64.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.72 -35.28 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.69 -19.9 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.03 23.57 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 8.2 t 63.37 82.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . 0.446 ' O ' ' HB1' ' B' ' 573' ' ' ALA . 69.2 mtt-85 -149.62 98.42 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -136.4 26.06 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 164.21 35.34 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.223 . . . . 0.0 112.404 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.408 HG22 ' N ' ' B' ' 540' ' ' SER . 8.2 p -177.38 160.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . 0.408 ' N ' HG22 ' B' ' 539' ' ' VAL . 7.7 t 65.02 60.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -151.19 -175.53 5.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -74.84 0.74 56.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.543 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -137.73 122.42 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.706 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -141.2 160.01 41.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.531 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.46 -45.51 45.97 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.7 -32.52 81.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.403 ' O ' ' HB1' ' A' ' 550' ' ' ALA . 4.0 mt-10 -67.84 -41.17 83.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.706 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.94 -55.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.531 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.78 -31.49 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.724 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -67.39 -46.5 73.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.701 HG23 ' HB1' ' A' ' 550' ' ' ALA . 54.1 t -61.22 -48.81 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 11.0 tt -64.18 -28.82 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -66.87 -53.91 27.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.54 -24.92 69.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.28 -47.25 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.69 -57.65 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -69.12 -57.94 7.17 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.458 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.916 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -66.76 -38.52 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.44 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.09 -37.82 78.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.841 HD23 HD13 ' A' ' 562' ' ' LEU . 4.4 tp -60.98 -51.41 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' B' ' 566' ' ' LEU . 3.3 tp -63.79 -42.77 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -55.8 -60.88 8.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.431 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 45.3 mm -54.93 -38.3 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' B' ' 563' ' ' LEU . 21.3 mt -56.4 -44.37 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . . . . . . . . . 40.1 t -79.57 -35.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.52 -22.4 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.5 20.63 8.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 1.3 m 74.47 -59.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -121.43 -74.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 54.07 83.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 571' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 167.92 23.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -167.3 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 540' ' ' SER . 9.9 p -77.13 158.89 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 539' ' ' VAL . 5.1 t 63.86 20.3 12.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.93 38.31 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . 59.65 17.86 43.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 543' ' ' LEU . 3.4 tm? -159.04 122.72 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.3 OUTLIER -141.51 159.98 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.55 -45.22 46.89 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.04 80.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.34 -41.24 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -66.93 -55.91 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.3 m -57.31 -32.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -65.85 -49.46 68.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.693 HG23 ' HB1' ' B' ' 550' ' ' ALA . 55.7 t -58.3 -50.72 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.071 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 556' ' ' LEU . 10.2 tt -63.01 -27.06 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' A' ' 557' ' ' LEU . 5.2 t80 -67.12 -55.84 12.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.44 69.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.02 -52.6 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 552' ' ' ILE . 5.6 mp -66.14 -54.17 28.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.599 HD12 ' CE1' ' A' ' 553' ' ' PHE . 32.5 mt -67.09 -25.36 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.987 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.28 -63.31 4.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.578 ' HB1' HD13 ' B' ' 562' ' ' LEU . . . -65.45 -42.76 92.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.26 -59.52 4.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -37.09 76.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.96 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.2 tt -61.05 -59.05 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.81 -37.92 66.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.85 3.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 50.4 mm -50.76 -33.51 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.94 -46.13 91.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.53 -31.03 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.68 -18.73 55.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -116.35 -18.7 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 32.2 t -76.39 56.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -65.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 50.77 35.23 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . 0.567 ' HG2' HD12 ' B' ' 543' ' ' LEU . 53.6 Cg_endo -69.83 167.74 23.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -166.26 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.442 HG22 ' H ' ' B' ' 540' ' ' SER . 4.0 p -95.56 164.8 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . 0.442 ' H ' HG22 ' B' ' 539' ' ' VAL . 0.5 OUTLIER 66.25 14.94 9.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.21 -175.4 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -74.89 2.51 49.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.607 HD21 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -136.13 123.7 22.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.704 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.2 OUTLIER -142.18 159.72 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.53 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.34 -45.67 44.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.5 -32.15 80.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.18 -41.78 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.704 HD12 ' O ' ' B' ' 544' ' ' THR . 2.7 mp -66.07 -55.27 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.53 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.97 -31.92 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.693 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -66.86 -50.44 62.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 550' ' ' ALA . 49.4 t -57.41 -49.73 79.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.53 -28.93 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' B' ' 557' ' ' LEU . 4.0 t80 -65.64 -53.89 35.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -77.69 -23.43 67.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.8 tp -73.81 -46.28 46.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.944 0.402 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.24 -51.86 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.589 HD12 ' CE1' ' B' ' 553' ' ' PHE . 21.7 mt -69.61 -28.86 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.68 -56.47 12.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.96 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -68.08 -42.49 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.46 -59.55 4.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.75 -44.27 85.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.733 HD23 HD13 ' A' ' 562' ' ' LEU . 5.0 tp -53.53 -60.47 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.695 ' O ' HG23 ' B' ' 567' ' ' VAL . 5.5 tp -51.21 -37.58 47.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -60.97 -43.3 99.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.463 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 44.4 mm -66.46 -48.2 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.176 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.34 -42.32 63.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.695 HG23 ' O ' ' B' ' 563' ' ' LEU . 59.0 t -64.51 -50.59 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.11 -24.18 67.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.17 -56.72 12.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.74 46.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.21 4.96 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.68 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . 0.724 ' HB3' HD12 ' A' ' 543' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 163.09 39.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.636 2.224 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 539' ' ' VAL . 53.1 Cg_endo -69.81 66.42 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 538' ' ' PRO . 0.2 OUTLIER 49.69 -169.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . 0.449 ' H ' HG12 ' A' ' 539' ' ' VAL . 0.2 OUTLIER 64.33 19.91 11.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -128.05 -172.17 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -80.04 5.9 61.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' A' ' 536' ' ' SER . 3.4 tm? -141.17 122.24 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.715 ' O ' HD12 ' A' ' 548' ' ' ILE . 0.2 OUTLIER -141.29 159.94 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . 0.535 ' O ' HG13 ' A' ' 549' ' ' VAL . . . -50.72 -45.19 48.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.99 -32.0 80.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.25 -42.09 80.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 544' ' ' THR . 2.7 mp -65.83 -55.15 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 545' ' ' GLY . 3.1 m -59.06 -30.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.064 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.731 ' HB1' HG23 ' B' ' 551' ' ' VAL . . . -68.75 -48.46 63.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.749 HG23 ' HB1' ' B' ' 550' ' ' ALA . 47.8 t -58.79 -47.51 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ILE . . . . . 0.421 HG12 HD12 ' A' ' 556' ' ' LEU . 12.0 tt -65.64 -30.74 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.2 -51.8 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.74 -31.38 60.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.84 -43.68 68.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 552' ' ' ILE . 29.1 mt -70.79 -64.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.97 -29.19 63.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.43 -63.79 3.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . 0.911 ' HB1' HD12 ' B' ' 562' ' ' LEU . . . -65.23 -43.75 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.37 -59.67 3.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 23.5 tp -58.78 -36.51 74.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.823 HD12 ' HB1' ' B' ' 559' ' ' ALA . 3.3 tt -60.85 -55.95 26.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 567' ' ' VAL . 5.0 tp -54.4 -41.62 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLY . . . . . . . . . . . . . . . -57.32 -59.68 10.4 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.71 -50.9 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 111.109 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.403 HD13 HD13 ' B' ' 566' ' ' LEU . 16.9 mt -53.08 -42.61 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 563' ' ' LEU . 99.8 t -73.33 -26.34 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.66 -24.37 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.819 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . . . . . . . . . 4.3 t -171.29 56.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -163.74 46.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.88 60.55 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' SER . . . . . 0.448 ' HB3' HD12 ' B' ' 543' ' ' LEU . 3.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.619 0.724 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.86 67.28 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' PRO . . . . . 0.413 ' O ' HG13 ' B' ' 539' ' ' VAL . 54.3 Cg_endo -69.7 -29.1 24.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' VAL . . . . . 0.413 HG13 ' O ' ' B' ' 538' ' ' PRO . 3.5 m -155.13 -178.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.98 -159.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.812 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 60.41 -174.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -83.9 17.25 27.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 548' ' ' ILE . 3.4 tm? -135.79 124.62 24.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' THR . . . . . 0.711 ' O ' HD12 ' B' ' 548' ' ' ILE . 0.3 OUTLIER -142.11 159.95 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' GLY . . . . . 0.543 ' O ' HG13 ' B' ' 549' ' ' VAL . . . -50.44 -45.57 45.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.04 80.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.401 ' O ' HG23 ' B' ' 551' ' ' VAL . 4.0 mt-10 -68.48 -41.33 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' ILE . . . . . 0.711 HD12 ' O ' ' B' ' 544' ' ' THR . 2.6 mp -66.43 -55.46 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' VAL . . . . . 0.543 HG13 ' O ' ' B' ' 545' ' ' GLY . 3.1 m -58.43 -31.13 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.749 ' HB1' HG23 ' A' ' 551' ' ' VAL . . . -68.12 -48.63 64.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' VAL . . . . . 0.731 HG23 ' HB1' ' A' ' 550' ' ' ALA . 55.8 t -58.61 -48.9 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' ILE . . . . . . . . . . . . . 13.0 tt -64.48 -30.22 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.064 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' B' ' 557' ' ' LEU . 3.0 t80 -64.65 -53.1 52.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.32 -29.31 60.34 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' LEU . . . . . . . . . . . . . 14.3 tp -71.52 -43.03 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.98 -55.88 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' LEU . . . . . 0.553 HD12 ' CE1' ' B' ' 553' ' ' PHE . 23.1 mt -67.02 -26.48 66.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' GLY . . . . . . . . . . . . . . . -66.46 -62.86 4.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' ALA . . . . . 0.823 ' HB1' HD12 ' A' ' 562' ' ' LEU . . . -64.68 -43.43 93.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' ALA . . . . . . . . . . . . . . . -51.25 -59.25 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.0 -36.51 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.911 HD12 ' HB1' ' A' ' 559' ' ' ALA . 3.3 tt -60.8 -56.35 22.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 563' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 567' ' ' VAL . 5.1 tp -53.89 -43.61 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . -56.43 -61.62 7.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 43.0 mm -51.44 -40.86 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 566' ' ' LEU . 16.5 mt -55.32 -48.78 73.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' VAL . . . . . 0.5 HG13 ' NE ' ' B' ' 572' ' ' ARG . 21.9 t -73.55 -34.74 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.3 -21.32 61.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.15 22.9 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' SER . . . . . . . . . . . . . 4.3 t 54.27 62.56 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -176.16 117.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' ARG . . . . . 0.5 ' NE ' HG13 ' B' ' 567' ' ' VAL . 0.0 OUTLIER -154.07 36.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.92 . . . . . . . . 0 0 . 1 stop_ save_