data_2mw8_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 2mw8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.3 m -71.02 165.54 23.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.75 -44.17 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.97 -31.69 72.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.61 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.92 -42.12 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.63 -42.07 99.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 22.0 mt -76.28 -35.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.27 -46.41 77.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.51 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -64.34 -32.29 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -37.88 84.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . 0.474 HD12 HG21 ' A' ' 663' ' ' ILE . 35.3 mt -73.18 -41.08 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.45 -57.23 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 28.5 t -83.45 -67.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.68 -154.0 25.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.85 51.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -152.62 69.9 7.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 165.87 31.56 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.05 177.37 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.01 -39.54 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.06 -30.78 62.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.24 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 38.0 mt -71.49 -42.57 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.1 m -77.06 -47.52 20.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.85 -41.28 97.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 55.3 p -61.95 -37.88 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -80.26 -32.04 38.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.24 -51.34 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.17 -13.2 60.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.23 37.94 3.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 6.8 mt -125.77 148.81 63.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -179.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.606 2.204 . . . . 0.0 112.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -87.09 -42.21 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -60.2 -32.84 71.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -32.03 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.418 HG23 HD11 ' A' ' 689' ' ' ILE . 23.9 mm -78.03 -41.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 35.4 mt -64.84 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -70.08 -38.81 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.33 -58.62 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.15 -42.23 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.22 -43.73 92.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.68 -49.69 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -29.68 70.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 171.59 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.28 -30.69 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.53 -42.84 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.39 -39.67 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tp -67.03 -38.56 86.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.77 97.54 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.87 -38.19 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.356 . . . . 0.0 110.998 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.09 -40.44 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -59.18 -39.5 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -64.15 -36.29 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.425 ' CE1' ' CG2' ' A' ' 666' ' ' VAL . 44.3 t80 -68.01 -31.95 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.1 -30.27 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -81.11 -27.64 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -64.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . 0.425 ' CG2' ' CE1' ' A' ' 662' ' ' PHE . 22.6 t -69.9 -68.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 160.87 -104.14 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.2 mt -137.46 -67.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.625 0.25 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.32 112.12 11.7 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.89 -169.11 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.578 2.186 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -125.84 160.6 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -52.87 -28.19 21.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.54 -28.98 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.62 -41.57 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.214 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 45.5 mt -65.29 -46.25 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.9 -43.37 94.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.3 m -72.05 -42.86 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.71 -31.15 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.9 m -62.64 -51.01 68.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.57 -44.37 90.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -61.42 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.11 -16.35 62.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 66.4 32.11 7.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 42.2 mt -116.94 143.54 31.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.95 172.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.42 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 44.7 mt -70.99 -37.73 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 14.2 mt -70.51 -30.7 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -81.32 -29.28 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -79.23 -47.32 16.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.9 -30.68 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.69 -47.61 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.3 -29.41 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.96 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 28.1 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 2.6 t -87.03 166.13 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.0 t -60.4 -29.98 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.05 -44.06 91.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.1 85.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.91 -41.94 97.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.55 -52.94 50.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.385 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.73 -39.71 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.11 -42.33 99.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -58.88 -44.14 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.8 m -59.47 -31.58 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' A' ' 666' ' ' VAL . 53.7 t80 -72.63 -30.25 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.4 mt -77.59 -33.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -75.16 -31.19 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.16 -65.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . 0.419 HG22 ' CE1' ' A' ' 662' ' ' PHE . 21.3 t -69.93 -57.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.67 -107.73 0.7 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -143.33 57.12 5.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.68 178.1 6.12 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.609 2.206 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.84 173.6 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.774 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -57.51 -29.58 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.92 -31.72 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.44 60.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.4 -32.28 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.0 -40.07 87.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 3.3 m -72.8 -33.84 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.91 -31.18 61.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.8 t -68.2 -44.54 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.2 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -61.22 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.13 -10.59 59.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.367 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.58 30.84 10.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 24.2 mt -114.45 143.05 29.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.15 -176.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.527 2.152 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.62 -48.38 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 688' ' ' THR . 14.6 p90 -48.14 -32.54 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.419 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 42.6 m -71.75 -45.99 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.989 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 33.6 mt -69.7 -36.55 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.93 -49.84 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -60.75 -37.71 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -65.29 -56.56 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.88 -31.08 71.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -44.45 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.26 -32.19 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.6 -34.97 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.25 171.38 9.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.8 -32.0 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.21 -46.19 84.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.42 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.44 -36.68 84.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.12 71.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.85 -42.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.39 -34.34 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.718 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.43 -41.34 93.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.1 m -63.61 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 666' ' ' VAL . 24.0 t80 -60.18 -37.29 79.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.4 mt -72.19 -32.31 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.83 -28.05 28.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.52 -67.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 662' ' ' PHE . 33.2 t -69.98 -69.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 169.52 -95.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.21 -57.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.94 112.17 11.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.78 150.62 14.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.475 2.117 . . . . 0.0 112.372 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.65 161.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.78 -36.76 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.01 -29.28 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.42 63.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.3 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.54 -33.88 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -56.28 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.791 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -46.78 88.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.84 -40.45 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.6 m -63.57 -57.78 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.12 78.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -58.32 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.58 -11.23 60.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.37 31.39 15.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 110.747 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 29.2 mt -119.84 144.78 38.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.575 2.183 . . . . 0.0 112.212 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -96.22 -39.4 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.415 ' CE1' ' OG1' ' A' ' 688' ' ' THR . 16.9 p90 -57.17 -31.08 65.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.415 ' OG1' ' CE1' ' A' ' 687' ' ' TYR . 34.2 m -72.83 -36.03 67.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.69 -35.14 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.4 mt -72.98 -37.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -66.99 -32.42 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -64.31 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -59.02 -29.12 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.39 -28.75 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -79.97 -27.03 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -80.3 -31.36 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.179 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 4.2 m -59.29 178.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.91 -30.8 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.02 -42.26 94.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.07 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 58.5 tp -68.21 -31.03 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.14 30.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 35.2 mt -69.91 -43.7 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.35 -38.77 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.85 -43.78 94.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.5 m -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 678' ' ' LEU . 18.5 t80 -69.01 -31.01 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.98 -49.27 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -68.5 -30.07 68.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.34 -66.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . 0.409 HG22 ' CZ ' ' A' ' 662' ' ' PHE . 21.5 t -80.45 -67.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 152.79 -155.12 25.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.1 33.05 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -155.87 72.79 5.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . 0.416 ' HG3' ' CE2' ' A' ' 693' ' ' PHE . 60.5 Cg_endo -72.7 161.83 42.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.586 2.19 . . . . 0.0 112.267 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.93 168.66 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.73 -40.61 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -30.33 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.4 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 675' ' ' ILE . 46.5 mt -67.36 -30.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.73 -41.87 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.2 m -71.13 -33.37 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 662' ' ' PHE . 0.2 OUTLIER -68.75 -39.37 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 84.0 p -68.55 -40.17 80.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.37 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.78 -14.89 63.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.359 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 65.82 32.82 8.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.19 150.19 43.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.68 177.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.525 2.15 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.85 -45.89 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.0 -31.44 68.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 31.5 m -67.34 -33.94 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 689' ' ' ILE . 36.3 mt -71.83 -27.0 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.48 -50.12 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.6 -43.03 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -62.38 -53.37 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 670' ' ' PRO . 4.0 m-85 -59.25 -47.06 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.82 -40.05 96.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -75.51 -27.79 58.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -56.7 -30.81 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 11.7 p -59.36 151.33 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 27.6 t -59.63 -41.65 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -36.14 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.2 90.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.23 -39.73 95.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.49 98.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.01 -35.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.417 HD22 ' CZ ' ' A' ' 692' ' ' PHE . 8.0 tp -71.59 -38.29 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.2 m -58.04 -42.09 84.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.463 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 11.0 t80 -59.14 -53.61 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.717 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 667' ' ' GLY . 74.2 mt -51.23 -26.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.59 -21.12 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.77 -82.49 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.633 0.254 . . . . 0.0 111.533 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 11.8 t -104.92 -28.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 0.0 111.47 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . 0.463 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.46 106.09 0.14 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.057 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 669' ' ' TYR . 2.6 mt 175.21 -37.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.378 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 668' ' ' LEU . 22.2 m-85 -140.84 56.86 7.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . 0.426 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 40.1 Cg_endo -67.51 151.43 79.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.543 2.162 . . . . 0.0 112.319 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -109.48 -177.07 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -54.87 -28.85 53.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.76 -32.07 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -79.79 -39.65 30.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.56 -44.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -65.71 -42.76 90.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 m -70.44 -55.5 8.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.44 -31.12 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 13.4 t -59.71 -54.35 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.72 54.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -34.33 75.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.31 1.61 33.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 59.17 31.04 20.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 17.9 mt -119.01 148.42 44.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 -176.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.572 2.181 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -56.13 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -58.23 -29.88 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.8 m -59.04 -36.59 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 30.8 mt -81.69 -30.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 42.5 mt -69.5 -37.0 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.93 57.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . 0.417 ' CZ ' HD22 ' A' ' 659' ' ' LEU . 16.4 t80 -66.19 -55.13 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 28.5 m-85 -60.24 -35.91 76.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -32.36 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.35 -37.63 83.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 37.0 p -59.1 158.53 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.56 -29.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.37 -44.04 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.09 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -55.67 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.38 50.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.715 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 51.5 mt -69.47 -40.07 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.62 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -69.87 -32.91 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 16.9 m -70.23 -32.52 70.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.21 -37.59 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.87 -42.57 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.49 -28.56 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.31 -63.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.49 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 141.44 -134.97 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.86 31.37 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -137.12 65.75 51.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.49 164.73 34.76 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.42 178.36 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.5 66.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.72 -37.12 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.26 -32.08 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -43.5 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -66.07 -36.29 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.8 mp -75.29 -37.73 60.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 18.0 t -58.88 -31.58 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -87.75 -34.11 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.38 -35.14 58.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.77 -13.63 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.27 40.34 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 17.7 mt -127.8 148.4 66.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 174.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.497 2.131 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.28 -45.85 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.59 -31.53 68.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 1.3 m -59.28 -41.69 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.63 -34.95 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 52.6 mt -67.74 -30.49 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -82.04 -31.5 30.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.02 -48.78 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.33 -46.1 81.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.48 -38.17 83.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -72.03 -31.65 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -63.72 -39.26 93.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 30.6 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.883 0.373 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.1 m -74.39 168.54 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.14 -30.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -49.42 77.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.43 -40.65 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.56 -54.88 34.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.423 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 6.2 mt -65.17 -30.74 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 692' ' ' PHE . 0.5 OUTLIER -60.85 -50.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.2 -35.05 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -49.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.49 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 16.0 t80 -67.54 -53.43 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.722 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.84 -26.72 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -86.62 -21.49 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.17 -77.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 111.245 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 15.6 t -114.98 -27.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . 0.49 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.92 111.82 0.93 Allowed Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.222 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 2.0 mt 177.65 -40.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.234 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 17.8 m-85 -145.11 58.82 5.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.719 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.73 149.93 78.93 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.568 2.179 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.99 -176.31 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.31 -31.33 65.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -32.9 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.77 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.24 -30.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -66.58 -44.5 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -73.72 -41.05 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.75 -45.95 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.7 m -61.31 -52.19 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.36 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -54.25 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 5.04 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.391 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.46 29.67 15.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.871 0.367 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.89 144.59 29.94 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.002 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 50.6 Cg_exo -53.18 -176.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.571 2.181 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -87.93 -34.74 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 17.1 p90 -64.63 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 24.1 m -69.44 -34.64 74.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 693' ' ' PHE . 30.8 mm -71.93 -29.31 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.58 -33.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -81.94 -35.7 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . 0.424 ' CE2' ' HG ' ' A' ' 659' ' ' LEU . 38.2 t80 -69.9 -53.63 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 689' ' ' ILE . 13.0 m-85 -58.89 -41.31 86.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.77 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -60.58 -29.49 69.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -57.28 -32.3 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 34.3 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 75.2 m -59.92 147.94 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.54 -35.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -40.66 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.32 -44.95 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.4 -35.69 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.22 -45.26 56.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.4 -33.76 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -53.03 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.9 m -65.16 -36.3 83.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.29 -37.64 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.19 -31.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -31.22 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.96 -43.09 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.66 -67.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 148.6 -161.75 28.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.96 31.65 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -142.94 70.73 18.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.29 -175.28 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.558 2.172 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.36 166.28 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -47.03 86.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.74 -30.74 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.55 -33.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.78 -41.5 87.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.7 m -76.08 -35.63 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.65 -35.89 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.4 m -65.46 -42.21 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.99 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -79.82 -55.2 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -13.85 61.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.251 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 64.8 31.65 11.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 19.5 mt -115.4 145.73 35.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 169.46 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.461 2.107 . . . . 0.0 112.209 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -52.67 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -59.22 -32.71 70.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 28.4 m -59.28 -34.73 72.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.445 HG21 HD13 ' A' ' 689' ' ' ILE . 36.5 mt -79.57 -32.48 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.99 -38.44 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.17 -31.03 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.95 -42.6 48.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -50.53 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.809 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.24 -28.0 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.5 -58.22 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 22.1 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 3.5 m -66.05 154.96 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.65 -28.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -57.52 -47.74 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.38 -40.02 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.42 -39.06 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.33 -59.1 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 3.7 mt -60.5 -31.18 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 692' ' ' PHE . 1.1 mp -62.29 -46.28 89.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.47 -34.75 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -63.09 -41.06 99.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.56 -36.97 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 26.1 mt -75.22 -31.37 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.99 -29.48 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.57 -36.67 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.32 -68.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 147.65 -156.33 26.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.67 36.45 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -138.17 67.79 47.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -175.52 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -140.36 175.08 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -57.54 -37.95 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -29.56 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -74.96 -50.63 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.3 mt -63.57 -34.07 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -46.48 86.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.6 m -75.79 -31.06 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.29 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -42.3 97.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -68.99 -50.5 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.42 -32.23 73.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.85 -19.28 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.35 30.97 15.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.818 0.342 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 11.8 mt -127.98 147.79 64.63 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -47.98 166.3 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.828 2.352 . . . . 0.0 112.282 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -37.62 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -57.62 -21.72 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.287 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 m -78.08 -40.93 36.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 689' ' ' ILE . 42.6 mt -65.58 -34.32 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.24 -42.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -63.6 -31.52 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . 0.409 ' CE2' HD22 ' A' ' 659' ' ' LEU . 84.6 t80 -76.59 -42.52 42.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.71 -31.49 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -78.96 -31.51 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.12 -29.34 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.19 -38.87 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 169.72 17.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.62 -33.75 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.44 -44.19 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.27 -44.95 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.1 96.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.53 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.05 -34.52 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.031 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 692' ' ' PHE . 6.4 tp -65.84 -42.72 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -59.89 -38.16 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 18.7 t80 -66.33 -32.69 74.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 18.8 mt -76.72 -30.73 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -31.0 53.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.31 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.9 t -76.27 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 137.22 -155.19 22.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.6 mp -103.76 31.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -138.47 73.94 41.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.95 139.17 35.54 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.74 174.08 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.17 -39.31 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -30.67 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.45 96.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.53 -31.24 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.88 -39.55 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.3 m -77.31 -48.15 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.28 -31.99 70.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 88.3 p -68.22 -45.99 71.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -58.07 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 48.2 mt -71.51 -14.23 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 15.9 t0 70.44 34.73 2.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.09 140.61 32.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.39 179.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -44.31 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.15 -31.14 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 27.8 m -58.87 -37.01 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.99 -42.51 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.32 -48.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.41 -43.4 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 659' ' ' LEU . 68.0 t80 -68.52 -55.49 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -58.4 -30.35 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.19 -48.74 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.42 -30.22 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.93 -39.38 85.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 30.5 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.54 156.08 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.39 -37.03 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -44.73 96.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.7 76.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -38.65 85.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.46 97.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 48.1 mt -68.17 -39.08 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.808 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.21 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.43 -42.86 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -33.71 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.55 -51.7 68.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.6 pt -70.45 -25.0 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -81.86 -32.23 31.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -100.99 -63.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 36.3 t -70.9 -48.61 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 117.65 -169.91 13.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.8 mp -100.96 31.69 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -123.57 62.2 23.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 172.53 13.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.23 175.8 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.04 -51.26 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.02 -29.7 70.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.91 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.59 -30.08 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.12 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.7 m -84.17 -32.27 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -33.56 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.0 p -72.92 -50.14 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.71 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -62.76 -63.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 42.2 mt -70.01 -13.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.14 66.1 0.65 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.1 151.33 29.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.23 152.05 8.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -66.8 -45.41 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 688' ' ' THR . 9.2 p90 -57.85 -27.46 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 25.2 m -58.28 -45.95 86.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.14 -37.55 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.75 -37.65 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -72.56 -30.67 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.5 -58.31 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -58.66 -30.37 67.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -82.04 -29.97 31.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -83.0 -15.24 51.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.353 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -98.41 -31.07 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.833 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.79 0.329 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.9 t -81.04 160.92 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.81 -31.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.56 -36.93 71.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -69.32 -41.19 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.77 93.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.67 -30.77 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.8 mt -71.01 -41.57 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.92 -43.73 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.421 ' CE1' HG13 ' A' ' 666' ' ' VAL . 32.0 t80 -70.16 -35.67 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.97 -32.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -82.66 -24.72 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.17 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 662' ' ' PHE . 21.6 t -69.85 -69.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.397 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.42 35.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.21 -23.32 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -106.56 84.68 1.52 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.083 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.69 -168.86 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.614 2.209 . . . . 0.0 112.191 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.22 172.91 9.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -31.79 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -74.99 -31.66 61.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.09 -44.12 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 675' ' ' ILE . 31.2 mt -71.12 -31.91 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -66.5 -43.15 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.4 m -71.46 -46.08 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.98 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -46.54 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -70.66 -45.13 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.04 -60.63 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 30.7 mt -70.02 -16.8 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.217 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.9 t0 67.61 32.65 5.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.27 147.16 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.5 171.78 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.497 2.131 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.08 -46.66 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.6 -31.52 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 19.4 m -65.02 -34.06 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.446 HD12 HG23 ' A' ' 689' ' ' ILE . 32.1 mt -79.9 -36.99 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.43 -41.55 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.18 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.24 -47.18 58.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.16 -40.04 93.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.33 73.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.59 -28.95 67.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.54 -35.32 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.749 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 29.1 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.825 0.345 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 61.8 m -80.5 167.8 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.04 -36.11 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.76 -38.89 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.57 -37.62 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.25 90.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.42 -33.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.92 -39.46 93.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -69.5 -36.01 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 23.5 m -70.43 -34.76 72.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -63.68 -40.61 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 6.9 mt -72.98 -33.08 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.05 -28.64 62.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -95.63 -41.95 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 -68.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.12 -148.91 20.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.4 mp -119.68 28.63 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -140.94 56.8 7.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -169.41 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.581 2.188 . . . . 0.0 112.384 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.66 169.65 9.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -56.58 -29.24 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.7 -38.39 73.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.56 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.78 -32.53 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.23 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.4 m -69.63 -45.21 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -65.92 -46.32 78.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.1 t -59.43 -32.2 69.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -85.21 -43.59 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.04 -33.99 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.91 -10.65 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.67 31.94 16.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.817 0.341 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.58 142.73 28.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.29 177.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -83.03 -44.33 15.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -54.98 -23.33 18.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 62.6 m -72.03 -38.28 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.941 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.8 -34.14 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -70.5 -42.43 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.73 -49.32 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.04 -42.36 94.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.773 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.33 -39.81 89.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.95 -33.67 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -60.31 -33.48 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.4 p -60.24 150.29 30.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.78 -34.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.86 -37.33 84.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.27 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.76 -30.67 69.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -68.54 -51.45 31.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.19 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 692' ' ' PHE . 1.7 mp -69.07 -47.71 64.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.56 -31.63 70.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 49.0 m -76.47 -38.22 55.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -61.21 -33.19 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 4.9 mt -80.49 -32.68 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.7 -22.48 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -96.6 -42.08 8.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 25.8 t -96.6 -70.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.97 -161.48 31.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 0.1 OUTLIER -107.67 30.54 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.793 0.33 . . . . 0.0 110.975 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 28.6 m-85 -144.86 69.52 14.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 147.66 43.7 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -81.01 159.0 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.9 -39.79 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.86 -30.53 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.15 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.96 -30.59 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -75.51 -36.39 60.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -36.75 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -30.9 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 14.4 t -67.89 -44.61 76.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.88 -52.92 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.26 -11.7 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.3 31.47 17.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.901 0.382 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.88 147.21 43.71 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.83 153.3 78.74 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.416 2.077 . . . . 0.0 112.263 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -55.61 -36.2 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.65 -27.41 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 3.2 m -82.74 -31.42 28.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.223 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 26.9 mt -81.42 -35.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 12.4 mt -70.1 -40.79 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 659' ' ' LEU . 75.0 t80 -64.65 -54.82 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.4 -42.75 99.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.79 -42.42 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.43 -37.81 84.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -64.48 -43.41 94.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 89.4 p -60.19 172.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.81 -37.62 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.6 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.33 85.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.51 -35.53 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.25 80.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.31 -32.37 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.43 -38.3 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.18 -51.2 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.4 m -59.84 -31.05 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -69.94 -31.84 69.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 6.4 mt -76.04 -32.88 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -31.16 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.45 -66.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 143.55 -147.11 18.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.1 mt -124.98 31.14 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -139.84 63.98 27.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.51 163.78 37.89 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.529 2.152 . . . . 0.0 112.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.51 171.39 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.41 -30.26 62.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.54 -29.36 64.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.71 -39.94 35.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.76 -40.08 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.5 -43.64 72.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 -31.27 63.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.73 -40.05 84.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 54.7 p -64.97 -44.01 90.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.28 64.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -55.12 32.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.88 32.3 6.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.73 148.72 46.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 174.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.612 2.208 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -80.06 -53.43 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -58.79 -31.06 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.3 m -61.2 -40.48 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 689' ' ' ILE . 36.1 mt -75.3 -39.07 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.82 -51.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -59.33 -32.49 70.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -73.28 -59.0 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -59.81 -39.77 86.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.73 -33.73 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.98 -31.24 44.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -62.65 -33.45 75.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.878 0.37 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 9.6 m -68.6 146.7 52.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.38 -30.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.55 -32.66 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.48 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.25 -57.98 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -53.28 -42.54 63.78 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.71 -40.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 692' ' ' PHE . 4.7 mp -60.77 -38.11 84.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.51 -44.2 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.0 m -60.32 -31.53 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 674' ' ' ALA . 43.8 t80 -67.33 -36.97 82.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 38.7 mt -73.42 -34.53 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -31.31 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -61.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.07 -66.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.83 -159.12 23.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.4 mt -99.52 31.38 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -128.26 64.01 65.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . 0.415 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 59.0 Cg_endo -71.99 142.78 39.27 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.579 2.186 . . . . 0.0 112.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -101.92 172.12 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.42 -27.29 15.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -34.68 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 662' ' ' PHE . . . -77.47 -33.16 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.3 mt -76.88 -23.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -88.53 -29.87 19.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 5.8 t -76.91 -29.21 55.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.77 -44.91 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -38.92 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -74.54 -46.38 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -66.29 -47.86 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 41.4 mt -80.11 -19.62 46.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.72 40.36 2.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.51 152.12 52.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.26 169.66 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.177 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.17 19.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 688' ' ' THR . 15.9 p90 -61.63 -31.45 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 1.6 m -63.38 -38.86 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 689' ' ' ILE . 32.4 mm -71.12 -38.55 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.7 mt -73.43 -30.45 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -78.68 -31.17 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . 0.426 ' CE2' HD22 ' A' ' 659' ' ' LEU . 53.6 t80 -69.75 -56.74 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 36.9 m-85 -59.14 -32.92 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.62 -30.77 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.08 -45.73 90.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -66.02 -30.97 71.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.55 160.73 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.16 -43.44 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.07 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.02 -31.69 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.6 -37.17 89.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 26.6 mt -73.91 -35.85 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.7 -50.96 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.34 -43.51 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.6 m -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -72.44 -33.1 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.77 -30.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -79.49 -29.9 41.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.74 -53.33 3.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.72 -67.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 140.02 -146.33 17.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.62 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.12 40.68 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -150.77 62.51 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.15 168.25 24.6 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.42 -177.53 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -29.85 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.34 -57.5 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.14 -29.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.6 m -72.34 -43.66 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.07 -40.98 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -45.49 91.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.93 -53.66 50.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.98 -17.47 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.12 32.09 6.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.93 145.71 50.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 53.2 Cg_exo -52.31 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -83.9 -39.49 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 14.4 p90 -57.3 -30.39 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -38.25 83.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 23.0 mt -76.26 -37.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.61 -32.68 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.27 -29.64 34.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -77.36 -36.11 53.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.16 -30.76 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.31 -40.82 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.78 -41.12 79.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.735 0.302 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -108.13 174.15 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.01 -30.75 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -38.83 89.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -57.12 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -54.59 -46.79 73.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.676 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.64 -35.31 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.07 -31.84 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.31 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.5 m -62.15 -37.28 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . 0.413 ' CD1' HG22 ' A' ' 666' ' ' VAL . 27.2 t80 -60.24 -43.85 95.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 39.4 mt -74.48 -30.26 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -81.26 -28.2 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.56 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 662' ' ' PHE . 28.0 t -69.99 -68.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.68 30.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 0.4 OUTLIER -108.02 26.12 10.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 15.0 m-85 -137.06 73.91 50.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . 0.409 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 60.7 Cg_endo -72.75 162.43 41.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.16 . . . . 0.0 112.405 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -109.07 178.12 4.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.32 -36.03 76.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.0 -31.16 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.46 93.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.92 -38.46 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.4 m -80.45 -30.83 37.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.68 -31.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -50.7 47.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.56 94.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.48 -56.05 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.08 -20.57 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.11 31.85 8.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.4 mt -116.16 149.53 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.8 157.41 2.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.5 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.2 p90 -60.28 -35.61 75.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.445 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 13.9 m -60.72 -35.93 77.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.47 -36.75 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.95 -42.94 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -65.02 -36.45 84.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.2 -58.8 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.803 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . 0.409 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 21.3 m-85 -56.22 -30.72 62.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -70.81 -32.73 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.95 -2.75 58.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.215 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.0 -20.82 26.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.132 -179.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.886 0.374 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 17.7 t -67.81 162.92 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 31.7 t -58.12 -44.19 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.42 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.51 77.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.25 -36.74 82.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.36 95.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.3 mt -71.04 -41.78 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 692' ' ' PHE . 7.6 mp -64.87 -39.74 94.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.1 -43.65 91.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.4 m -61.46 -37.59 84.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.4 -35.22 78.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 37.0 mt -70.21 -30.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.59 -30.45 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -67.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.42 -67.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.82 -154.16 25.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.29 31.29 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -140.15 74.43 30.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.91 135.97 34.0 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.238 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.31 -179.63 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.46 -50.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.04 74.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.49 -42.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.88 -52.91 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 15.7 m -59.53 -47.53 85.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.45 -41.17 98.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 6.3 t -73.82 -29.99 62.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -81.15 -54.08 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.62 -30.67 67.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 95.9 mt -95.23 -16.98 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.292 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.29 31.84 12.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.21 153.06 46.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.726 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.64 162.75 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.545 2.163 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -75.76 -45.95 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.7 p90 -58.88 -31.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' THR . . . . . 0.44 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 11.6 m -64.0 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.17 -45.68 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.09 -35.74 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -69.17 -36.94 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 659' ' ' LEU . 44.1 t80 -67.23 -49.63 63.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -63.94 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -80.67 -49.61 10.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -58.36 -30.25 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.57 -51.59 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.006 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 48.2 p30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.02 117.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -144.96 74.36 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -140.75 31.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.63 138.8 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -127.94 142.45 44.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.65 153.46 18.77 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.444 2.096 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -76.16 133.92 40.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.39 163.98 29.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 63.07 70.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt 63.34 125.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.3 m -71.02 165.54 23.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.75 -44.17 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.97 -31.69 72.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.61 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.92 -42.12 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.63 -42.07 99.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 22.0 mt -76.28 -35.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.27 -46.41 77.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.51 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -64.34 -32.29 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -37.88 84.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . 0.474 HD12 HG21 ' A' ' 663' ' ' ILE . 35.3 mt -73.18 -41.08 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.45 -57.23 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 28.5 t -83.45 -67.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.68 -154.0 25.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.85 51.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -152.62 69.9 7.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 165.87 31.56 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -119.05 177.37 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.01 -39.54 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.06 -30.78 62.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.24 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 38.0 mt -71.49 -42.57 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.1 m -77.06 -47.52 20.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.85 -41.28 97.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 55.3 p -61.95 -37.88 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -80.26 -32.04 38.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.24 -51.34 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.17 -13.2 60.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.23 37.94 3.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 6.8 mt -125.77 148.81 63.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -179.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.606 2.204 . . . . 0.0 112.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -87.09 -42.21 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -60.2 -32.84 71.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -32.03 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.418 HG23 HD11 ' A' ' 689' ' ' ILE . 23.9 mm -78.03 -41.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 35.4 mt -64.84 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -70.08 -38.81 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.33 -58.62 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.15 -42.23 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.22 -43.73 92.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.68 -49.69 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -29.68 70.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -58.79 -30.99 68.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -85.97 -26.77 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.21 -42.93 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.45 -32.85 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -72.57 -59.45 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.32 -75.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -60.01 132.15 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -110.11 51.88 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -170.09 124.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.9 mp -96.94 166.61 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.1 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.902 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 60.86 174.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.71 105.68 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -137.26 78.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.6 p -78.97 120.2 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -153.75 61.99 3.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.96 -27.63 20.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.564 2.176 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -174.43 95.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.41 -65.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -169.35 133.92 1.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.7 mt 65.14 115.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 171.59 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.28 -30.69 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.53 -42.84 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.39 -39.67 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tp -67.03 -38.56 86.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.77 97.54 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.87 -38.19 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.356 . . . . 0.0 110.998 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.09 -40.44 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -59.18 -39.5 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -64.15 -36.29 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.425 ' CE1' ' CG2' ' A' ' 666' ' ' VAL . 44.3 t80 -68.01 -31.95 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.1 -30.27 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -81.11 -27.64 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -64.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . 0.425 ' CG2' ' CE1' ' A' ' 662' ' ' PHE . 22.6 t -69.9 -68.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 160.87 -104.14 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.2 mt -137.46 -67.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.625 0.25 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.32 112.12 11.7 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.89 -169.11 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.578 2.186 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -125.84 160.6 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -52.87 -28.19 21.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.54 -28.98 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.62 -41.57 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.214 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 45.5 mt -65.29 -46.25 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.9 -43.37 94.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.3 m -72.05 -42.86 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.71 -31.15 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.9 m -62.64 -51.01 68.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.57 -44.37 90.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -61.42 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.11 -16.35 62.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 66.4 32.11 7.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 42.2 mt -116.94 143.54 31.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.95 172.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.42 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 44.7 mt -70.99 -37.73 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 14.2 mt -70.51 -30.7 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -81.32 -29.28 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -79.23 -47.32 16.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.9 -30.68 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.69 -47.61 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.3 -29.41 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.96 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -66.97 -51.22 57.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -58.53 -34.99 71.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.01 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.4 -26.75 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.12 40.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.992 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -173.69 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -80.15 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -133.31 120.1 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -99.64 28.13 16.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.43 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -135.79 123.54 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.88 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.809 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.914 0.388 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.14 159.0 24.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -133.27 161.95 33.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -140.83 168.03 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.0 -177.55 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -122.08 54.59 5.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.77 112.23 3.44 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.308 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 60.54 165.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 5.8 t -134.78 32.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -118.49 152.32 36.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 28.1 mt 64.53 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 2.6 t -87.03 166.13 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.0 t -60.4 -29.98 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.05 -44.06 91.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.1 85.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.91 -41.94 97.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.55 -52.94 50.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.385 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.73 -39.71 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.11 -42.33 99.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -58.88 -44.14 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.8 m -59.47 -31.58 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' A' ' 666' ' ' VAL . 53.7 t80 -72.63 -30.25 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.4 mt -77.59 -33.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -75.16 -31.19 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.16 -65.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . 0.419 HG22 ' CE1' ' A' ' 662' ' ' PHE . 21.3 t -69.93 -57.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.67 -107.73 0.7 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -143.33 57.12 5.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.68 178.1 6.12 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.609 2.206 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.84 173.6 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.774 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -57.51 -29.58 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.92 -31.72 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.44 60.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.4 -32.28 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.0 -40.07 87.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 3.3 m -72.8 -33.84 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.91 -31.18 61.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.8 t -68.2 -44.54 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.2 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -61.22 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.13 -10.59 59.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.367 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.58 30.84 10.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 24.2 mt -114.45 143.05 29.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.15 -176.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.527 2.152 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.62 -48.38 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 688' ' ' THR . 14.6 p90 -48.14 -32.54 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.419 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 42.6 m -71.75 -45.99 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.989 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 33.6 mt -69.7 -36.55 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 13.4 mt -69.93 -49.84 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -60.75 -37.71 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -65.29 -56.56 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.88 -31.08 71.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -44.45 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.26 -32.19 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -70.6 -34.97 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.42 -41.51 72.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -74.66 -34.4 62.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -62.05 -32.89 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.56 -28.69 28.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -97.7 28.9 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -121.71 -42.36 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 706' ' ' LEU . 7.5 p80 -108.05 148.33 29.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -74.69 -27.22 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -148.12 130.08 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 703' ' ' HIS . 1.6 pp -86.4 161.37 18.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.963 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.813 0.34 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.27 98.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.5 121.81 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.75 35.61 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.83 105.65 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.85 88.99 3.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.55 168.42 21.33 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.55 2.166 . . . . 0.0 112.308 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.39 121.05 14.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 2.7 t -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -176.74 167.15 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 19.9 mt 63.02 118.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.25 171.38 9.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.8 -32.0 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.21 -46.19 84.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.42 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.44 -36.68 84.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.12 71.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.85 -42.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.39 -34.34 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.718 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.43 -41.34 93.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.1 m -63.61 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 666' ' ' VAL . 24.0 t80 -60.18 -37.29 79.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.4 mt -72.19 -32.31 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.83 -28.05 28.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.52 -67.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 662' ' ' PHE . 33.2 t -69.98 -69.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 169.52 -95.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.21 -57.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.94 112.17 11.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.78 150.62 14.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.475 2.117 . . . . 0.0 112.372 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.65 161.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.78 -36.76 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.01 -29.28 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.42 63.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.3 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.54 -33.88 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -56.28 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.791 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -46.78 88.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.84 -40.45 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.6 m -63.57 -57.78 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.12 78.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -58.32 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.58 -11.23 60.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.37 31.39 15.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 110.747 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 29.2 mt -119.84 144.78 38.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.575 2.183 . . . . 0.0 112.212 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -96.22 -39.4 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.415 ' CE1' ' OG1' ' A' ' 688' ' ' THR . 16.9 p90 -57.17 -31.08 65.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.415 ' OG1' ' CE1' ' A' ' 687' ' ' TYR . 34.2 m -72.83 -36.03 67.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.69 -35.14 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.4 mt -72.98 -37.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -66.99 -32.42 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -64.31 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -59.02 -29.12 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . 0.417 ' HG2' ' CD1' ' A' ' 698' ' ' TYR . 1.4 tt0 -78.39 -28.75 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -79.97 -27.03 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -80.3 -31.36 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.179 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -47.03 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . 0.417 ' CD1' ' HG2' ' A' ' 694' ' ' GLN . 4.0 m-85 -61.35 -19.97 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.63 -41.79 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.19 25.55 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -39.67 2.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -98.56 -52.13 3.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -75.56 -80.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 117.99 -79.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.621 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -88.62 -178.67 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.17 -65.72 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.31 150.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.08 173.79 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -143.57 32.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 3.7 p -143.83 151.41 39.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 101.23 8.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 154.7 72.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.412 2.074 . . . . 0.0 112.254 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 145.89 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 1.9 t -117.82 156.02 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.0 171.9 13.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 18.3 mt -93.59 82.54 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 4.2 m -59.29 178.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.91 -30.8 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.02 -42.26 94.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.07 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 58.5 tp -68.21 -31.03 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.14 30.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 35.2 mt -69.91 -43.7 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.35 -38.77 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.85 -43.78 94.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.5 m -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 678' ' ' LEU . 18.5 t80 -69.01 -31.01 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.98 -49.27 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -68.5 -30.07 68.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.34 -66.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . 0.409 HG22 ' CZ ' ' A' ' 662' ' ' PHE . 21.5 t -80.45 -67.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 152.79 -155.12 25.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.1 33.05 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -155.87 72.79 5.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . 0.416 ' HG3' ' CE2' ' A' ' 693' ' ' PHE . 60.5 Cg_endo -72.7 161.83 42.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.586 2.19 . . . . 0.0 112.267 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.93 168.66 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.73 -40.61 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -30.33 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.4 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.159 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 675' ' ' ILE . 46.5 mt -67.36 -30.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.73 -41.87 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.2 m -71.13 -33.37 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 662' ' ' PHE . 0.2 OUTLIER -68.75 -39.37 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 84.0 p -68.55 -40.17 80.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.37 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.78 -14.89 63.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.359 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 65.82 32.82 8.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.19 150.19 43.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.68 177.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.525 2.15 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.85 -45.89 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.0 -31.44 68.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 31.5 m -67.34 -33.94 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.446 HD12 HG21 ' A' ' 689' ' ' ILE . 36.3 mt -71.83 -27.0 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.48 -50.12 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.6 -43.03 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -62.38 -53.37 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 670' ' ' PRO . 4.0 m-85 -59.25 -47.06 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.82 -40.05 96.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -75.51 -27.79 58.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -56.7 -30.81 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.45 -40.53 91.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.79 -32.8 31.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -52.66 -32.57 42.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.16 21.96 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -171.6 32.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -173.87 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -178.29 -176.53 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 177.98 167.16 35.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.47 100.55 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -36.67 83.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.02 151.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -169.49 100.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 88.91 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 15.1 p 55.69 103.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.96 144.41 53.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.37 167.3 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.474 2.116 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.25 148.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 44.3 p -83.08 -45.59 13.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.198 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 59.37 160.99 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 33.1 mt -125.31 136.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 11.7 p -59.36 151.33 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 27.6 t -59.63 -41.65 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -36.14 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.2 90.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 10.4 tp -63.23 -39.73 95.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.49 98.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.01 -35.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.417 HD22 ' CZ ' ' A' ' 692' ' ' PHE . 8.0 tp -71.59 -38.29 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.2 m -58.04 -42.09 84.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.463 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 11.0 t80 -59.14 -53.61 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.717 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 667' ' ' GLY . 74.2 mt -51.23 -26.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.59 -21.12 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.77 -82.49 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.633 0.254 . . . . 0.0 111.533 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 11.8 t -104.92 -28.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 0.0 111.47 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . 0.463 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.46 106.09 0.14 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.057 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 669' ' ' TYR . 2.6 mt 175.21 -37.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.378 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 668' ' ' LEU . 22.2 m-85 -140.84 56.86 7.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . 0.426 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 40.1 Cg_endo -67.51 151.43 79.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.543 2.162 . . . . 0.0 112.319 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -109.48 -177.07 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -54.87 -28.85 53.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.76 -32.07 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -79.79 -39.65 30.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.56 -44.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -65.71 -42.76 90.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 m -70.44 -55.5 8.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 37.4 mt -59.44 -31.12 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 13.4 t -59.71 -54.35 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.72 54.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -34.33 75.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.31 1.61 33.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 59.17 31.04 20.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 17.9 mt -119.01 148.42 44.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 -176.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.572 2.181 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -56.13 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -58.23 -29.88 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 20.8 m -59.04 -36.59 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 30.8 mt -81.69 -30.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 42.5 mt -69.5 -37.0 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.93 57.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.417 ' CZ ' HD22 ' A' ' 659' ' ' LEU . 16.4 t80 -66.19 -55.13 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 28.5 m-85 -60.24 -35.91 76.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -32.36 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.35 -37.63 83.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -64.89 -45.07 87.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -36.82 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -76.16 -29.46 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.2 39.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 -47.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.01 -53.77 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 29.3 m170 62.27 91.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 173.22 -77.4 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.568 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -134.47 148.09 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.85 160.34 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.915 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.31 69.71 0.37 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -72.05 133.44 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.1 172.01 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.92 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.13 127.92 89.78 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.68 80.17 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.369 2.046 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 82.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 9.5 t -151.2 -170.7 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -102.1 152.73 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 110.762 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 24.2 mt 66.43 131.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 37.0 p -59.1 158.53 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.56 -29.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.37 -44.04 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.09 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -55.67 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.38 50.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.715 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 51.5 mt -69.47 -40.07 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.62 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -69.87 -32.91 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 16.9 m -70.23 -32.52 70.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -68.21 -37.59 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.87 -42.57 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.49 -28.56 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.31 -63.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.49 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 141.44 -134.97 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.86 31.37 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -137.12 65.75 51.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.49 164.73 34.76 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.42 178.36 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.5 66.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.72 -37.12 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.26 -32.08 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -43.5 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -66.07 -36.29 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.8 mp -75.29 -37.73 60.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 18.0 t -58.88 -31.58 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -87.75 -34.11 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.38 -35.14 58.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.77 -13.63 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.27 40.34 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 17.7 mt -127.8 148.4 66.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 174.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.497 2.131 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.28 -45.85 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.59 -31.53 68.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 1.3 m -59.28 -41.69 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.63 -34.95 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 52.6 mt -67.74 -30.49 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -82.04 -31.5 30.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.02 -48.78 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.33 -46.1 81.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.48 -38.17 83.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -72.03 -31.65 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -63.72 -39.26 93.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -35.43 74.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -87.72 -44.83 10.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . 0.428 ' CE1' ' HA2' ' A' ' 704' ' ' GLY . 37.3 t80 -47.84 -28.69 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.57 -24.13 15.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -102.37 30.62 4.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -152.57 -79.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.07 -177.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.997 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . 0.428 ' HA2' ' CE1' ' A' ' 699' ' ' TYR . . . -78.82 60.99 4.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -71.33 102.3 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 178.77 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -94.63 80.82 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -168.58 116.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt 60.21 102.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 3.2 p -133.92 107.61 7.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 60.17 90.83 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.82 176.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.546 2.164 . . . . 0.0 112.432 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.68 168.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 9.4 t -121.98 112.85 18.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 156.26 34.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 30.6 mt -71.84 121.42 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.1 m -74.39 168.54 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.14 -30.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.41 -49.42 77.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.766 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.43 -40.65 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.56 -54.88 34.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.423 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 6.2 mt -65.17 -30.74 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 692' ' ' PHE . 0.5 OUTLIER -60.85 -50.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.2 -35.05 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -49.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.49 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 16.0 t80 -67.54 -53.43 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.722 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.84 -26.72 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -86.62 -21.49 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.17 -77.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 111.245 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 15.6 t -114.98 -27.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . 0.49 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.92 111.82 0.93 Allowed Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.222 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 2.0 mt 177.65 -40.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.234 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 17.8 m-85 -145.11 58.82 5.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.719 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.73 149.93 78.93 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.568 2.179 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.99 -176.31 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.31 -31.33 65.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -32.9 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.77 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.24 -30.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -66.58 -44.5 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -73.72 -41.05 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.75 -45.95 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.7 m -61.31 -52.19 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.36 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -54.25 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 5.04 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.391 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.46 29.67 15.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.871 0.367 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.89 144.59 29.94 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.002 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 50.6 Cg_exo -53.18 -176.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.571 2.181 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -87.93 -34.74 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 17.1 p90 -64.63 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 24.1 m -69.44 -34.64 74.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' A' ' 693' ' ' PHE . 30.8 mm -71.93 -29.31 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.58 -33.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -81.94 -35.7 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.424 ' CE2' ' HG ' ' A' ' 659' ' ' LEU . 38.2 t80 -69.9 -53.63 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 689' ' ' ILE . 13.0 m-85 -58.89 -41.31 86.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.77 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -60.58 -29.49 69.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -57.28 -32.3 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -74.16 -30.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -76.65 -20.23 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -66.17 -43.95 85.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.988 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.86 47.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -177.61 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -94.84 -175.74 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 61.48 164.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -105.58 174.25 20.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.57 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.07 107.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.04 -78.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.93 88.39 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -145.8 151.13 37.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -110.4 135.73 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.7 p -96.85 133.05 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -69.34 123.76 89.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.8 176.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.497 2.131 . . . . 0.0 112.26 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 61.02 113.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 8.1 t -59.38 114.04 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -102.72 90.93 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 34.3 mt -82.74 138.34 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 75.2 m -59.92 147.94 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.54 -35.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -40.66 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.32 -44.95 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.4 -35.69 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.22 -45.26 56.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.4 -33.76 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -53.03 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.9 m -65.16 -36.3 83.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.29 -37.64 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.19 -31.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -31.22 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.96 -43.09 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.66 -67.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 148.6 -161.75 28.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.96 31.65 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -142.94 70.73 18.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.29 -175.28 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.558 2.172 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.36 166.28 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -47.03 86.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.74 -30.74 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.55 -33.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.78 -41.5 87.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.7 m -76.08 -35.63 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.65 -35.89 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.4 m -65.46 -42.21 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.99 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -79.82 -55.2 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -13.85 61.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.251 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 64.8 31.65 11.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 19.5 mt -115.4 145.73 35.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 169.46 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.461 2.107 . . . . 0.0 112.209 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -52.67 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -59.22 -32.71 70.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 28.4 m -59.28 -34.73 72.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.445 HG21 HD13 ' A' ' 689' ' ' ILE . 36.5 mt -79.57 -32.48 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.99 -38.44 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.17 -31.03 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.95 -42.6 48.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -50.53 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.809 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.24 -28.0 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.5 -58.22 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -60.72 -50.31 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -58.54 -33.89 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -62.96 -45.94 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.52 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -62.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -82.39 -56.28 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -83.26 178.34 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -111.9 -74.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -132.8 123.55 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.59 -75.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.895 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.729 0.3 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -69.38 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.8 161.75 13.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 163.31 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.71 178.93 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.92 88.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -27.46 28.48 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.596 2.197 . . . . 0.0 112.438 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.982 0.42 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.36 32.44 12.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.054 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 118.87 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 22.1 mt -98.72 138.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 3.5 m -66.05 154.96 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.65 -28.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -57.52 -47.74 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -70.38 -40.02 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.42 -39.06 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.33 -59.1 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 3.7 mt -60.5 -31.18 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 692' ' ' PHE . 1.1 mp -62.29 -46.28 89.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.47 -34.75 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -63.09 -41.06 99.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.56 -36.97 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 26.1 mt -75.22 -31.37 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.99 -29.48 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.57 -36.67 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.32 -68.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 147.65 -156.33 26.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.67 36.45 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -138.17 67.79 47.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -175.52 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -140.36 175.08 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -57.54 -37.95 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -29.56 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -74.96 -50.63 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.3 mt -63.57 -34.07 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -46.48 86.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.6 m -75.79 -31.06 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -40.29 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -42.3 97.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -68.99 -50.5 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.42 -32.23 73.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.6 mt -89.85 -19.28 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.35 30.97 15.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.818 0.342 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 11.8 mt -127.98 147.79 64.63 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.797 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -47.98 166.3 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.828 2.352 . . . . 0.0 112.282 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -37.62 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -57.62 -21.72 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.287 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 m -78.08 -40.93 36.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 689' ' ' ILE . 42.6 mt -65.58 -34.32 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.24 -42.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -63.6 -31.52 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.409 ' CE2' HD22 ' A' ' 659' ' ' LEU . 84.6 t80 -76.59 -42.52 42.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.71 -31.49 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -78.96 -31.51 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.12 -29.34 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.19 -38.87 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -65.41 -34.5 78.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.02 12.03 23.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -100.05 -30.42 11.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 8.1 mt -96.53 39.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -169.68 -63.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -73.88 -70.25 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -60.72 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -83.44 -51.77 3.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.39 48.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 6.7 mt 60.94 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.89 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -130.27 -48.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.11 161.97 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -98.4 106.61 18.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 10.0 p -91.75 89.06 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.25 90.38 20.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.29 -53.77 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.445 2.097 . . . . 0.0 112.284 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 54.29 93.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 3.2 m -163.33 147.2 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -110.96 169.47 8.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 3.2 mt 62.1 116.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 169.72 17.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.62 -33.75 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.44 -44.19 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.27 -44.95 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.1 96.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.53 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.05 -34.52 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.031 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 692' ' ' PHE . 6.4 tp -65.84 -42.72 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -59.89 -38.16 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 18.7 t80 -66.33 -32.69 74.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 18.8 mt -76.72 -30.73 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -31.0 53.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.31 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.9 t -76.27 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 137.22 -155.19 22.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.6 mp -103.76 31.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -138.47 73.94 41.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.95 139.17 35.54 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.74 174.08 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.17 -39.31 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -30.67 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.45 96.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.53 -31.24 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.88 -39.55 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.3 m -77.31 -48.15 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.28 -31.99 70.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 88.3 p -68.22 -45.99 71.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -58.07 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 48.2 mt -71.51 -14.23 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 15.9 t0 70.44 34.73 2.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.09 140.61 32.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.39 179.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -44.31 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.15 -31.14 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 27.8 m -58.87 -37.01 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.99 -42.51 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.32 -48.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.41 -43.4 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 659' ' ' LEU . 68.0 t80 -68.52 -55.49 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -58.4 -30.35 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.19 -48.74 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.42 -30.22 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.93 -39.38 85.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -76.9 -33.93 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.61 -47.14 73.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -60.04 -30.26 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.76 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.36 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -61.22 -47.68 84.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -96.43 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 104.56 -40.29 2.52 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -149.64 142.66 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.99 139.85 50.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.928 0.394 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.84 157.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.838 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -104.09 130.06 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.86 133.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 4.6 t -155.54 153.63 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.5 106.23 0.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.8 102.14 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.13 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 96.86 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 1.8 t 41.38 80.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.787 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 133.0 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 30.5 mt -97.41 133.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.54 156.08 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.39 -37.03 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -44.73 96.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.7 76.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -38.65 85.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.46 97.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 48.1 mt -68.17 -39.08 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.808 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.21 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.43 -42.86 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -33.71 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.55 -51.7 68.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.6 pt -70.45 -25.0 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -81.86 -32.23 31.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -100.99 -63.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 36.3 t -70.9 -48.61 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 117.65 -169.91 13.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.8 mp -100.96 31.69 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.993 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -123.57 62.2 23.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 172.53 13.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.23 175.8 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.04 -51.26 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.02 -29.7 70.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.91 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.59 -30.08 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.12 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.7 m -84.17 -32.27 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -33.56 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.0 p -72.92 -50.14 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.71 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -62.76 -63.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 42.2 mt -70.01 -13.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.14 66.1 0.65 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.1 151.33 29.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.23 152.05 8.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -66.8 -45.41 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 688' ' ' THR . 9.2 p90 -57.85 -27.46 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 25.2 m -58.28 -45.95 86.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.14 -37.55 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.75 -37.65 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -72.56 -30.67 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.5 -58.31 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -58.66 -30.37 67.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -82.04 -29.97 31.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -83.0 -15.24 51.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.353 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -98.41 -31.07 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -75.93 -46.77 28.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -71.19 -26.6 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.87 -42.09 97.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -157.22 -46.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -122.49 173.5 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 60.59 -178.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -113.97 -66.21 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.522 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 126.74 16.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.7 141.23 45.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.758 0.313 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -47.61 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -150.1 95.4 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -36.96 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 6.9 p 59.05 113.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -105.99 86.87 2.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.36 157.0 60.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.19 160.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 9.9 t -134.56 -179.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 179.55 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.3 mt 63.91 133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.9 t -81.04 160.92 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.81 -31.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -71.56 -36.93 71.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -69.32 -41.19 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.77 93.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.67 -30.77 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.8 mt -71.01 -41.57 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.92 -43.73 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.421 ' CE1' HG13 ' A' ' 666' ' ' VAL . 32.0 t80 -70.16 -35.67 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.97 -32.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -82.66 -24.72 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.17 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 662' ' ' PHE . 21.6 t -69.85 -69.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.397 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.42 35.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 4.3 mp -94.21 -23.32 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -106.56 84.68 1.52 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.083 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.69 -168.86 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.614 2.209 . . . . 0.0 112.191 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.22 172.91 9.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -31.79 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -74.99 -31.66 61.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.09 -44.12 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 675' ' ' ILE . 31.2 mt -71.12 -31.91 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -66.5 -43.15 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.4 m -71.46 -46.08 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.98 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -46.54 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -70.66 -45.13 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.04 -60.63 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 30.7 mt -70.02 -16.8 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.217 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.9 t0 67.61 32.65 5.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.27 147.16 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.5 171.78 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.497 2.131 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.08 -46.66 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.6 -31.52 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 19.4 m -65.02 -34.06 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.446 HD12 HG23 ' A' ' 689' ' ' ILE . 32.1 mt -79.9 -36.99 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.43 -41.55 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.18 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.24 -47.18 58.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.16 -40.04 93.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.33 73.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.59 -28.95 67.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.54 -35.32 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -61.72 -37.71 85.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.749 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -79.98 -25.02 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.6 -29.71 52.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.47 30.94 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -141.72 -47.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -76.6 -49.75 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.56 127.01 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -72.54 -32.15 62.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 123.84 7.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.72 141.56 56.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.903 0.383 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -90.8 179.21 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.21 89.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 -171.27 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 31.2 p -115.66 169.3 9.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -131.57 133.46 24.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.33 96.74 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.223 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -105.01 -77.47 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 2.1 p -108.91 134.4 51.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.43 100.02 7.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 29.1 mt -95.35 136.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.026 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 61.8 m -80.5 167.8 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.04 -36.11 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.76 -38.89 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.57 -37.62 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.25 90.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.42 -33.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.92 -39.46 93.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -69.5 -36.01 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 23.5 m -70.43 -34.76 72.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -63.68 -40.61 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 6.9 mt -72.98 -33.08 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.05 -28.64 62.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -95.63 -41.95 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 -68.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.12 -148.91 20.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.4 mp -119.68 28.63 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -140.94 56.8 7.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -169.41 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.581 2.188 . . . . 0.0 112.384 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.66 169.65 9.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -56.58 -29.24 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.7 -38.39 73.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.56 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 48.4 mt -69.78 -32.53 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.23 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.4 m -69.63 -45.21 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -65.92 -46.32 78.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.1 t -59.43 -32.2 69.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -85.21 -43.59 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.04 -33.99 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.91 -10.65 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.67 31.94 16.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.817 0.341 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.58 142.73 28.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.29 177.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -83.03 -44.33 15.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -54.98 -23.33 18.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 62.6 m -72.03 -38.28 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.941 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.8 -34.14 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -70.5 -42.43 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.73 -49.32 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.04 -42.36 94.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.773 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.33 -39.81 89.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.95 -33.67 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -60.31 -33.48 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -59.78 -45.88 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.81 -39.65 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -65.49 -24.62 67.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 20.4 mt -95.89 38.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -170.19 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.84 -72.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -73.77 108.73 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -77.94 -68.76 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 96.69 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 17.6 tp -63.46 -48.79 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.849 0.356 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.25 123.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -88.95 170.16 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.7 146.59 25.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 40.8 p -90.78 132.16 36.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 63.3 88.34 0.12 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.11 99.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -71.88 140.13 49.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 15.0 m 60.96 81.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -107.43 131.62 54.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.1 mt -101.61 145.79 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.4 p -60.24 150.29 30.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.78 -34.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.86 -37.33 84.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.27 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.76 -30.67 69.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -68.54 -51.45 31.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.19 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 692' ' ' PHE . 1.7 mp -69.07 -47.71 64.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.56 -31.63 70.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 49.0 m -76.47 -38.22 55.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -61.21 -33.19 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 4.9 mt -80.49 -32.68 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.7 -22.48 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -96.6 -42.08 8.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 25.8 t -96.6 -70.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.97 -161.48 31.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 0.1 OUTLIER -107.67 30.54 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.793 0.33 . . . . 0.0 110.975 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 28.6 m-85 -144.86 69.52 14.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 147.66 43.7 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -81.01 159.0 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.9 -39.79 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.86 -30.53 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -72.29 -33.15 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.96 -30.59 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -75.51 -36.39 60.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -36.75 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -30.9 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 14.4 t -67.89 -44.61 76.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.88 -52.92 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.26 -11.7 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.3 31.47 17.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.901 0.382 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.88 147.21 43.71 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.83 153.3 78.74 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.416 2.077 . . . . 0.0 112.263 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -55.61 -36.2 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.65 -27.41 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 3.2 m -82.74 -31.42 28.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.223 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 26.9 mt -81.42 -35.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 12.4 mt -70.1 -40.79 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 659' ' ' LEU . 75.0 t80 -64.65 -54.82 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.4 -42.75 99.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.79 -42.42 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.43 -37.81 84.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -64.48 -43.41 94.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -59.95 -37.0 78.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . 0.502 ' CD1' ' CD2' ' A' ' 702' ' ' HIS . 0.2 OUTLIER -61.75 -57.23 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -51.29 -26.96 8.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -28.99 45.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 702' ' ' HIS . 0.9 OUTLIER -119.21 29.23 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.056 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . 0.502 ' CD2' ' CD1' ' A' ' 698' ' ' TYR . 77.6 m-70 -158.67 64.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.972 0.415 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -91.7 50.89 1.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -89.67 100.29 2.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.77 39.84 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 50.2 mt -121.57 142.32 50.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.963 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.96 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 91.4 3.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.07 31.75 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 106.45 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.39 110.96 6.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.01 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.17 66.15 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.55 2.166 . . . . 0.0 112.202 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.02 137.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.4 154.34 34.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.35 40.03 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 32.9 mt -103.62 91.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 89.4 p -60.19 172.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.81 -37.62 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.6 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.33 85.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.51 -35.53 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.25 80.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.31 -32.37 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.43 -38.3 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.18 -51.2 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.4 m -59.84 -31.05 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -69.94 -31.84 69.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 6.4 mt -76.04 -32.88 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -31.16 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.45 -66.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 143.55 -147.11 18.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.1 mt -124.98 31.14 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -139.84 63.98 27.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.51 163.78 37.89 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.529 2.152 . . . . 0.0 112.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.51 171.39 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.41 -30.26 62.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.54 -29.36 64.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.71 -39.94 35.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.76 -40.08 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.5 -43.64 72.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 -31.27 63.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.73 -40.05 84.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 54.7 p -64.97 -44.01 90.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.28 64.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -55.12 32.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.88 32.3 6.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.5 mt -119.73 148.72 46.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 174.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.612 2.208 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -80.06 -53.43 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -58.79 -31.06 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.3 m -61.2 -40.48 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 689' ' ' ILE . 36.1 mt -75.3 -39.07 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.82 -51.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -59.33 -32.49 70.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -73.28 -59.0 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -59.81 -39.77 86.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.73 -33.73 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.98 -31.24 44.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -62.65 -33.45 75.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -59.98 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.21 -29.31 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.98 -30.49 66.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 2.6 mt -97.17 45.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.7 -63.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -59.78 -62.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -162.0 174.12 13.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -128.36 72.18 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 100.23 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.87 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 3.2 pttt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.919 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.822 0.344 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 16.3 mmt-85 63.83 135.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.3 -174.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.29 115.37 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.08 108.38 19.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.63 107.37 17.14 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.68 -22.94 43.05 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.338 2.026 . . . . 0.0 112.419 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -30.79 66.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 5.7 m -145.58 110.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.5 139.69 18.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.2 mt 63.09 143.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 9.6 m -68.6 146.7 52.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.38 -30.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.55 -32.66 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -73.06 -37.48 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.25 -57.98 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -53.28 -42.54 63.78 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.71 -40.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 692' ' ' PHE . 4.7 mp -60.77 -38.11 84.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.51 -44.2 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.0 m -60.32 -31.53 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 674' ' ' ALA . 43.8 t80 -67.33 -36.97 82.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 38.7 mt -73.42 -34.53 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -31.31 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -61.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.07 -66.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.83 -159.12 23.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.4 mt -99.52 31.38 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -128.26 64.01 65.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . 0.415 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 59.0 Cg_endo -71.99 142.78 39.27 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.579 2.186 . . . . 0.0 112.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -101.92 172.12 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.42 -27.29 15.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -34.68 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 662' ' ' PHE . . . -77.47 -33.16 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.3 mt -76.88 -23.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -88.53 -29.87 19.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 5.8 t -76.91 -29.21 55.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.77 -44.91 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -38.92 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -74.54 -46.38 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -66.29 -47.86 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 41.4 mt -80.11 -19.62 46.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.72 40.36 2.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.51 152.12 52.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.26 169.66 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.177 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.17 19.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 688' ' ' THR . 15.9 p90 -61.63 -31.45 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 1.6 m -63.38 -38.86 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 689' ' ' ILE . 32.4 mm -71.12 -38.55 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.7 mt -73.43 -30.45 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -78.68 -31.17 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.426 ' CE2' HD22 ' A' ' 659' ' ' LEU . 53.6 t80 -69.75 -56.74 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 36.9 m-85 -59.14 -32.92 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.62 -30.77 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.08 -45.73 90.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -66.02 -30.97 71.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -69.38 -30.9 68.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -90.53 -30.78 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.48 -30.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 4.3 mt -95.49 44.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 -59.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -87.16 -70.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -64.42 82.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -104.96 28.45 14.68 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -141.0 87.95 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.34 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.907 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 28.8 t30 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.807 0.337 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 95.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -116.71 142.39 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt 63.15 143.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 5.3 t -154.11 169.51 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 63.27 127.42 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 104.76 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.356 2.037 . . . . 0.0 112.257 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -77.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 3.0 m -105.61 -39.05 6.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.17 168.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 25.1 mt -135.53 127.98 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.55 160.73 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.16 -43.44 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.47 -33.07 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.02 -31.69 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.6 -37.17 89.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 26.6 mt -73.91 -35.85 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.7 -50.96 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.34 -43.51 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.6 m -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -72.44 -33.1 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.77 -30.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -79.49 -29.9 41.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.74 -53.33 3.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.72 -67.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 140.02 -146.33 17.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.62 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.12 40.68 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -150.77 62.51 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.15 168.25 24.6 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.42 -177.53 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -29.85 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.34 -57.5 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.14 -29.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.6 m -72.34 -43.66 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.07 -40.98 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -45.49 91.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.93 -53.66 50.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.98 -17.47 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.12 32.09 6.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.93 145.71 50.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 53.2 Cg_exo -52.31 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -83.9 -39.49 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 14.4 p90 -57.3 -30.39 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -38.25 83.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 23.0 mt -76.26 -37.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.61 -32.68 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.27 -29.64 34.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -77.36 -36.11 53.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.16 -30.76 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.31 -40.82 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.78 -41.12 79.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -48.32 11.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.81 -27.96 67.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.87 -27.8 53.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 10.6 mp -82.21 -35.79 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.031 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.54 30.08 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -113.64 -34.25 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -120.94 -176.92 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -99.16 132.98 11.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt 60.6 169.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 1.8 mt -103.49 158.16 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.25 106.18 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 60.8 -175.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -177.27 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.4 m -152.01 108.96 3.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.231 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 63.12 133.53 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.48 -170.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.497 2.131 . . . . 0.0 112.226 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 90.66 7.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 18.8 p -147.45 126.54 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -105.32 58.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 30.0 mt -92.72 149.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -108.13 174.15 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.01 -30.75 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.02 -38.83 89.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -57.12 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -54.59 -46.79 73.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.676 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.64 -35.31 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.07 -31.84 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.31 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.5 m -62.15 -37.28 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . 0.413 ' CD1' HG22 ' A' ' 666' ' ' VAL . 27.2 t80 -60.24 -43.85 95.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 39.4 mt -74.48 -30.26 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -81.26 -28.2 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.56 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 662' ' ' PHE . 28.0 t -69.99 -68.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.68 30.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 0.4 OUTLIER -108.02 26.12 10.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 15.0 m-85 -137.06 73.91 50.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . 0.409 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 60.7 Cg_endo -72.75 162.43 41.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.16 . . . . 0.0 112.405 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -109.07 178.12 4.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.32 -36.03 76.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.0 -31.16 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.79 -39.46 93.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.92 -38.46 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.4 m -80.45 -30.83 37.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.68 -31.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -50.7 47.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.56 94.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.48 -56.05 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.08 -20.57 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.11 31.85 8.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.4 mt -116.16 149.53 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.8 157.41 2.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.5 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.2 p90 -60.28 -35.61 75.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.445 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 13.9 m -60.72 -35.93 77.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.47 -36.75 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.95 -42.94 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -65.02 -36.45 84.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.2 -58.8 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.803 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . 0.409 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 21.3 m-85 -56.22 -30.72 62.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -70.81 -32.73 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.95 -2.75 58.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.215 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.0 -20.82 26.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -88.45 -51.61 5.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.132 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 699' ' ' TYR . 0.1 OUTLIER -56.51 -22.84 35.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.156 -179.73 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 698' ' ' TYR . 51.3 t80 -64.23 -35.08 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.79 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.99 41.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -164.4 -65.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -69.5 -31.14 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -117.27 79.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -60.47 -31.07 73.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.2 118.74 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.757 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -45.67 83.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.794 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.818 0.342 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -99.15 32.95 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.33 39.62 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -73.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.39 72.66 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -121.46 96.05 47.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.57 -177.14 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.353 2.036 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.48 -175.04 4.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.114 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 7.6 mttm 63.43 117.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt 63.79 125.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 17.7 t -67.81 162.92 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 31.7 t -58.12 -44.19 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.42 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.51 77.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.25 -36.74 82.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.36 95.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.3 mt -71.04 -41.78 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 692' ' ' PHE . 7.6 mp -64.87 -39.74 94.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.1 -43.65 91.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.4 m -61.46 -37.59 84.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.4 -35.22 78.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 37.0 mt -70.21 -30.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.59 -30.45 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -67.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.42 -67.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.82 -154.16 25.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.29 31.29 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -140.15 74.43 30.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.91 135.97 34.0 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.238 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.31 -179.63 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.46 -50.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.04 74.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.49 -42.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.88 -52.91 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 15.7 m -59.53 -47.53 85.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.45 -41.17 98.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 6.3 t -73.82 -29.99 62.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -81.15 -54.08 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.62 -30.67 67.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 95.9 mt -95.23 -16.98 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.292 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.29 31.84 12.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.21 153.06 46.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.726 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.64 162.75 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.545 2.163 . . . . 0.0 112.543 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -75.76 -45.95 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.7 p90 -58.88 -31.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' THR . . . . . 0.44 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 11.6 m -64.0 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.17 -45.68 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.09 -35.74 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -69.17 -36.94 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 659' ' ' LEU . 44.1 t80 -67.23 -49.63 63.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -63.94 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -80.67 -49.61 10.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -58.36 -30.25 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.57 -51.59 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.006 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -41.02 91.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' TYR . . . . . 0.475 ' CE2' ' CE1' ' A' ' 702' ' ' HIS . 0.1 OUTLIER -62.73 -58.99 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -49.43 -27.83 4.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.35 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.07 -23.53 41.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.225 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -130.81 40.41 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 111.179 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' HIS . . . . . 0.475 ' CE1' ' CE2' ' A' ' 698' ' ' TYR . 21.9 m-70 -150.24 177.78 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' A' ' 702' ' ' HIS . 32.3 p80 46.05 -170.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.348 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -139.65 -68.26 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -110.17 39.15 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.67 132.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.3 m -71.02 165.54 23.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.75 -44.17 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.511 ' OE2' HD11 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -65.97 -31.69 72.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.461 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -75.22 -36.61 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.92 -42.12 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.63 -42.07 99.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.511 HD11 ' OE2' ' A' ' 654' ' ' GLU . 22.0 mt -76.28 -35.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.27 -46.41 77.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.51 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -64.34 -32.29 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -37.88 84.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 35.3 mt -73.18 -41.08 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.45 -57.23 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 28.5 t -83.45 -67.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.68 -154.0 25.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 3.0 mp -114.85 51.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -152.62 69.9 7.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 165.87 31.56 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 4.7 m-20 -119.05 177.37 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.01 -39.54 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.06 -30.78 62.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.52 -42.24 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 38.0 mt -71.49 -42.57 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.1 m -77.06 -47.52 20.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 674' ' ' ALA . 11.0 mt -63.85 -41.28 97.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 55.3 p -61.95 -37.88 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -80.26 -32.04 38.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.24 -51.34 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.461 HD23 ' HB1' ' A' ' 655' ' ' ALA . 2.9 mp -75.17 -13.2 60.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.23 37.94 3.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -125.77 148.81 63.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -179.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.606 2.204 . . . . 0.0 112.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -87.09 -42.21 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -60.2 -32.84 71.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.5 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -60.16 -32.03 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.03 -41.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 35.4 mt -64.84 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -70.08 -38.81 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.33 -58.62 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.15 -42.23 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.22 -43.73 92.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.68 -49.69 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -29.68 70.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.533 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 21.7 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 171.59 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.28 -30.69 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.53 -42.84 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -71.39 -39.67 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 692' ' ' PHE . 6.3 tp -67.03 -38.56 86.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.77 97.54 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.87 -38.19 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.356 . . . . 0.0 110.998 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.437 ' HG ' HD11 ' A' ' 682' ' ' LEU . 52.1 mt -67.09 -40.44 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.664 ' HA ' HD12 ' A' ' 663' ' ' ILE . 3.4 mt-30 -59.18 -39.5 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -64.15 -36.29 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.857 ' CE1' HG21 ' A' ' 666' ' ' VAL . 44.3 t80 -68.01 -31.95 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 660' ' ' GLN . 15.8 mt -75.1 -30.27 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -81.11 -27.64 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -64.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.857 HG21 ' CE1' ' A' ' 662' ' ' PHE . 22.6 t -69.9 -68.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 160.87 -104.14 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.487 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.2 mt -137.46 -67.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.625 0.25 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.32 112.12 11.7 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.89 -169.11 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.578 2.186 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 40.4 t0 -125.84 160.6 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -52.87 -28.19 21.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.54 -28.98 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -78.62 -41.57 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.214 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 689' ' ' ILE . 45.5 mt -65.29 -46.25 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.9 -43.37 94.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.3 m -72.05 -42.86 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.71 -31.15 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.9 m -62.64 -51.01 68.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.57 -44.37 90.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -61.42 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 655' ' ' ALA . 94.7 mt -71.11 -16.35 62.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 66.4 32.11 7.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 42.2 mt -116.94 143.54 31.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.95 172.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 690' ' ' ILE . 18.2 p90 -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.42 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.533 HD12 HG23 ' A' ' 675' ' ' ILE . 44.7 mt -70.99 -37.73 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 690' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 687' ' ' TYR . 14.2 mt -70.51 -30.7 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -81.32 -29.28 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' A' ' 656' ' ' LEU . 89.0 t80 -79.23 -47.32 16.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.9 -30.68 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.69 -47.61 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -57.3 -29.41 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.96 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.681 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 28.1 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 2.6 t -87.03 166.13 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.0 t -60.4 -29.98 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.05 -44.06 91.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.681 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -65.4 -37.1 85.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.91 -41.94 97.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.55 -52.94 50.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.385 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.73 -39.71 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.11 -42.33 99.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 663' ' ' ILE . 11.9 mt-30 -58.88 -44.14 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.8 m -59.47 -31.58 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 53.7 t80 -72.63 -30.25 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 667' ' ' GLY . 21.4 mt -77.59 -33.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -75.16 -31.19 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.16 -65.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.3 t -69.93 -57.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' GLY . . . . . 0.727 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 133.67 -107.73 0.7 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.49 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 696' ' ' GLN . 0.5 OUTLIER -164.71 31.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -143.33 57.12 5.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.68 178.1 6.12 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.609 2.206 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.84 173.6 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.774 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -57.51 -29.58 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.92 -31.72 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.44 60.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.4 -32.28 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.0 -40.07 87.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 3.3 m -72.8 -33.84 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.91 -31.18 61.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 679' ' ' SER . . . . . 0.46 ' HA ' HD11 ' A' ' 689' ' ' ILE . 10.8 t -68.2 -44.54 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.2 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -61.22 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.13 -10.59 59.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.367 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.58 30.84 10.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 24.2 mt -114.45 143.05 29.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.15 -176.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.527 2.152 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 686' ' ' LYS . . . . . 0.511 ' HB3' HD11 ' A' ' 690' ' ' ILE . 2.3 mptp? -84.62 -48.38 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 688' ' ' THR . 14.6 p90 -48.14 -32.54 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.419 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 42.6 m -71.75 -45.99 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.989 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 679' ' ' SER . 33.6 mt -69.7 -36.55 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 690' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 686' ' ' LYS . 13.4 mt -69.93 -49.84 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -60.75 -37.71 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -65.29 -56.56 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.88 -31.08 71.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -44.45 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.26 -32.19 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 696' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 668' ' ' LEU . 52.5 mm-40 -70.6 -34.97 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.25 171.38 9.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.8 -32.0 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.21 -46.19 84.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.42 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.44 -36.68 84.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.12 71.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.85 -42.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.39 -34.34 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.718 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.43 -41.34 93.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.1 m -63.61 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.408 ' CE2' HG21 ' A' ' 666' ' ' VAL . 24.0 t80 -60.18 -37.29 79.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 667' ' ' GLY . 22.4 mt -72.19 -32.31 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.83 -28.05 28.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.52 -67.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 662' ' ' PHE . 33.2 t -69.98 -69.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 169.52 -95.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.21 -57.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.94 112.17 11.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.78 150.62 14.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.475 2.117 . . . . 0.0 112.372 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.65 161.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.78 -36.76 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.01 -29.28 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.434 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -74.31 -37.42 63.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.3 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.54 -33.88 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -56.28 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.791 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -46.78 88.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 674' ' ' ALA . 21.2 mt -60.84 -40.45 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.6 m -63.57 -57.78 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.12 78.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -58.32 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.58 -11.23 60.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.37 31.39 15.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 110.747 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 29.2 mt -119.84 144.78 38.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.575 2.183 . . . . 0.0 112.212 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -96.22 -39.4 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.421 ' HA ' HD12 ' A' ' 690' ' ' ILE . 16.9 p90 -57.17 -31.08 65.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 34.2 m -72.83 -36.03 67.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.69 -35.14 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 690' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.4 mt -72.98 -37.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -66.99 -32.42 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -64.31 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -59.02 -29.12 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.39 -28.75 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -79.97 -27.03 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -80.3 -31.36 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.179 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 688' ' ' THR . 18.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 4.2 m -59.29 178.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.91 -30.8 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.02 -42.26 94.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.07 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 58.5 tp -68.21 -31.03 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.14 30.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 35.2 mt -69.91 -43.7 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.35 -38.77 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.85 -43.78 94.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.5 m -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 678' ' ' LEU . 18.5 t80 -69.01 -31.01 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.98 -49.27 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -68.5 -30.07 68.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.34 -66.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.5 t -80.45 -67.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 152.79 -155.12 25.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.1 33.05 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -155.87 72.79 5.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' PRO . . . . . 0.425 ' HG3' ' CE2' ' A' ' 693' ' ' PHE . 60.5 Cg_endo -72.7 161.83 42.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.586 2.19 . . . . 0.0 112.267 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.93 168.66 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.73 -40.61 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -30.33 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.49 -43.4 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.36 -30.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.73 -41.87 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.2 m -71.13 -33.37 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 662' ' ' PHE . 0.2 OUTLIER -68.75 -39.37 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 84.0 p -68.55 -40.17 80.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.37 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.78 -14.89 63.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.359 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 65.82 32.82 8.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.19 150.19 43.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.68 177.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.525 2.15 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.85 -45.89 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.0 -31.44 68.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 651' ' ' ILE . 31.5 m -67.34 -33.94 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.3 mt -71.83 -27.0 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.48 -50.12 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.6 -43.03 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -62.38 -53.37 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 693' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 670' ' ' PRO . 4.0 m-85 -59.25 -47.06 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.82 -40.05 96.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -75.51 -27.79 58.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -56.7 -30.81 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 684' ' ' LEU . 33.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 11.7 p -59.36 151.33 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 27.6 t -59.63 -41.65 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -36.14 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.57 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -65.71 -39.2 90.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 656' ' ' LEU . 10.4 tp -63.23 -39.73 95.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.49 98.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.01 -35.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 692' ' ' PHE . 8.0 tp -71.59 -38.29 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.2 m -58.04 -42.09 84.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.463 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 11.0 t80 -59.14 -53.61 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.717 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 692' ' ' PHE . 74.2 mt -51.23 -26.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.59 -21.12 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.77 -82.49 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.633 0.254 . . . . 0.0 111.533 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 11.8 t -104.92 -28.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 0.0 111.47 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' GLY . . . . . 0.463 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.46 106.09 0.14 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.057 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 669' ' ' TYR . 2.6 mt 175.21 -37.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.378 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 669' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 668' ' ' LEU . 22.2 m-85 -140.84 56.86 7.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 670' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 40.1 Cg_endo -67.51 151.43 79.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.543 2.162 . . . . 0.0 112.319 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -109.48 -177.07 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -54.87 -28.85 53.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.76 -32.07 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -79.79 -39.65 30.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.56 -44.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -65.71 -42.76 90.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 m -70.44 -55.5 8.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 678' ' ' LEU . 37.4 mt -59.44 -31.12 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 679' ' ' SER . . . . . 0.637 ' HA ' HD11 ' A' ' 689' ' ' ILE . 13.4 t -59.71 -54.35 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.72 54.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -68.73 -34.33 75.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.31 1.61 33.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 59.17 31.04 20.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 651' ' ' ILE . 17.9 mt -119.01 148.42 44.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 -176.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.572 2.181 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -56.13 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 690' ' ' ILE . 31.5 p90 -58.23 -29.88 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.465 HG21 HD22 ' A' ' 684' ' ' LEU . 20.8 m -59.04 -36.59 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 679' ' ' SER . 30.8 mt -81.69 -30.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 690' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 687' ' ' TYR . 42.5 mt -69.5 -37.0 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.93 57.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.54 ' CZ ' HD23 ' A' ' 659' ' ' LEU . 16.4 t80 -66.19 -55.13 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 693' ' ' PHE . . . . . 0.453 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 28.5 m-85 -60.24 -35.91 76.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -32.36 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.35 -37.63 83.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.808 HG23 HD11 ' A' ' 684' ' ' LEU . 24.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 37.0 p -59.1 158.53 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.56 -29.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.37 -44.04 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.991 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -67.93 -35.09 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 656' ' ' LEU . 0.3 OUTLIER -59.88 -55.67 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.38 50.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.715 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 51.5 mt -69.47 -40.07 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.62 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -69.87 -32.91 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 16.9 m -70.23 -32.52 70.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 666' ' ' VAL . 53.0 t80 -68.21 -37.59 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.87 -42.57 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.49 -28.56 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.31 -63.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.501 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.9 t -75.49 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 141.44 -134.97 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.612 HD23 ' HG2' ' A' ' 697' ' ' ARG . 5.0 mp -124.86 31.37 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -137.12 65.75 51.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.49 164.73 34.76 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.42 178.36 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.5 66.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.72 -37.12 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.26 -32.08 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -43.5 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -66.07 -36.29 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.8 mp -75.29 -37.73 60.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 18.0 t -58.88 -31.58 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -87.75 -34.11 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.38 -35.14 58.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.991 HD23 ' HB1' ' A' ' 655' ' ' ALA . 3.4 mp -93.77 -13.63 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.27 40.34 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 651' ' ' ILE . 17.7 mt -127.8 148.4 66.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 174.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.497 2.131 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.28 -45.85 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.59 -31.53 68.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 1.3 m -59.28 -41.69 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.63 -34.95 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 52.6 mt -67.74 -30.49 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -82.04 -31.5 30.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.02 -48.78 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.33 -46.1 81.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.48 -38.17 83.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -72.03 -31.65 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -63.72 -39.26 93.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.612 ' HG2' HD23 ' A' ' 668' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.644 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.6 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.883 0.373 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.1 m -74.39 168.54 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.14 -30.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -60.41 -49.42 77.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.766 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.644 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.43 -40.65 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.56 -54.88 34.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.423 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 654' ' ' GLU . 6.2 mt -65.17 -30.74 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 682' ' ' LEU . 0.5 OUTLIER -60.85 -50.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.2 -35.05 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -49.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.49 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 16.0 t80 -67.54 -53.43 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.722 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 659' ' ' LEU . 16.1 mt -50.84 -26.72 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -86.62 -21.49 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.17 -77.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 111.245 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 15.6 t -114.98 -27.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' GLY . . . . . 0.49 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.92 111.82 0.93 Allowed Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.222 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 2.0 mt 177.65 -40.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.234 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 17.8 m-85 -145.11 58.82 5.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.719 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.73 149.93 78.93 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.568 2.179 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.99 -176.31 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.31 -31.33 65.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -32.9 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.472 ' O ' HD23 ' A' ' 678' ' ' LEU . . . -70.16 -40.77 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 689' ' ' ILE . 31.3 mt -72.24 -30.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -66.58 -44.5 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -73.72 -41.05 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 674' ' ' ALA . 2.7 mm? -58.75 -45.95 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.7 m -61.31 -52.19 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.36 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -54.25 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.643 HD13 HD21 ' A' ' 659' ' ' LEU . 0.7 OUTLIER -86.78 5.04 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.391 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.46 29.67 15.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.871 0.367 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.89 144.59 29.94 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.002 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 50.6 Cg_exo -53.18 -176.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.571 2.181 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -87.93 -34.74 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 17.1 p90 -64.63 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 24.1 m -69.44 -34.64 74.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 675' ' ' ILE . 30.8 mm -71.93 -29.31 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.58 -33.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -81.94 -35.7 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 659' ' ' LEU . 38.2 t80 -69.9 -53.63 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.89 -41.31 86.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.77 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -60.58 -29.49 69.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -57.28 -32.3 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 684' ' ' LEU . 34.3 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 75.2 m -59.92 147.94 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.54 -35.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -40.66 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -67.32 -44.95 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.4 -35.69 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.22 -45.26 56.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.4 -33.76 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -53.03 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.9 m -65.16 -36.3 83.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.29 -37.64 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.19 -31.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -31.22 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.96 -43.09 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.66 -67.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 148.6 -161.75 28.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.96 31.65 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -142.94 70.73 18.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.29 -175.28 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.558 2.172 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.36 166.28 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -47.03 86.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.74 -30.74 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.531 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -61.5 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.55 -33.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.78 -41.5 87.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.7 m -76.08 -35.63 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 674' ' ' ALA . 2.3 mt -69.65 -35.89 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.4 m -65.46 -42.21 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.99 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -79.82 -55.2 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' A' ' 655' ' ' ALA . 43.2 mt -71.94 -13.85 61.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.251 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 64.8 31.65 11.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 651' ' ' ILE . 19.5 mt -115.4 145.73 35.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 169.46 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.461 2.107 . . . . 0.0 112.209 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -52.67 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -59.22 -32.71 70.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 28.4 m -59.28 -34.73 72.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.5 mt -79.57 -32.48 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.99 -38.44 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.17 -31.03 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.95 -42.6 48.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -50.53 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.809 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.24 -28.0 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.5 -58.22 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.462 HG22 ' HB3' ' A' ' 655' ' ' ALA . 22.1 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 3.5 m -66.05 154.96 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.65 -28.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 658' ' ' ILE . 46.1 mm-40 -57.52 -47.74 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -70.38 -40.02 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.42 -39.06 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.33 -59.1 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 654' ' ' GLU . 3.7 mt -60.5 -31.18 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 692' ' ' PHE . 1.1 mp -62.29 -46.28 89.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.47 -34.75 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -63.09 -41.06 99.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.56 -36.97 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 26.1 mt -75.22 -31.37 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.99 -29.48 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.57 -36.67 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.32 -68.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 147.65 -156.33 26.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 668' ' ' LEU . 0.8 OUTLIER -103.67 36.45 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -138.17 67.79 47.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -175.52 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ASP . . . . . 0.543 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 3.5 t70 -140.36 175.08 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -57.54 -37.95 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -29.56 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.543 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -74.96 -50.63 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.538 HG22 ' HG3' ' A' ' 686' ' ' LYS . 43.3 mt -63.57 -34.07 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -46.48 86.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.6 m -75.79 -31.06 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.3 OUTLIER -70.06 -40.29 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -42.3 97.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -68.99 -50.5 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.42 -32.23 73.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 655' ' ' ALA . 61.6 mt -89.85 -19.28 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.35 30.97 15.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.818 0.342 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 685' ' ' PRO . 11.8 mt -127.98 147.79 64.63 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 684' ' ' LEU . 5.3 Cg_endo -47.98 166.3 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.828 2.352 . . . . 0.0 112.282 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 686' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.84 -37.62 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.566 ' HA ' HD12 ' A' ' 690' ' ' ILE . 8.7 p90 -57.62 -21.72 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.287 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 m -78.08 -40.93 36.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.58 -34.32 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 690' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.1 mt -71.24 -42.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 691' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 695' ' ' ASN . 5.5 mtpp -63.6 -31.52 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.698 ' CD2' HD23 ' A' ' 659' ' ' LEU . 84.6 t80 -76.59 -42.52 42.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.71 -31.49 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -78.96 -31.51 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 691' ' ' LYS . 26.2 m-80 -81.12 -29.34 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.19 -38.87 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.636 HD11 ' CG2' ' A' ' 688' ' ' THR . 3.2 mt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 169.72 17.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.62 -33.75 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.44 -44.19 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.539 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.27 -44.95 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.1 96.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.53 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.05 -34.52 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.031 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.709 HD23 ' CE2' ' A' ' 692' ' ' PHE . 6.4 tp -65.84 -42.72 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 663' ' ' ILE . 25.5 mm100 -59.89 -38.16 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -66.33 -32.69 74.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 660' ' ' GLN . 18.8 mt -76.72 -30.73 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -31.0 53.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.31 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 137.22 -155.19 22.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.6 mp -103.76 31.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -138.47 73.94 41.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.95 139.17 35.54 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.74 174.08 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.17 -39.31 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -30.67 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.45 96.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.53 -31.24 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.88 -39.55 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.3 m -77.31 -48.15 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.28 -31.99 70.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 88.3 p -68.22 -45.99 71.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -58.07 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 659' ' ' LEU . 48.2 mt -71.51 -14.23 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 15.9 t0 70.44 34.73 2.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 684' ' ' LEU . 3.4 mm? -122.09 140.61 32.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.39 179.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -44.31 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.15 -31.14 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 651' ' ' ILE . 27.8 m -58.87 -37.01 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.99 -42.51 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.32 -48.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.41 -43.4 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.709 ' CE2' HD23 ' A' ' 659' ' ' LEU . 68.0 t80 -68.52 -55.49 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -58.4 -30.35 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.19 -48.74 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.42 -30.22 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.93 -39.38 85.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.512 ' HG2' HD22 ' A' ' 668' ' ' LEU . 37.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 655' ' ' ALA . 30.5 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.54 156.08 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.39 -37.03 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -44.73 96.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.791 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -68.25 -34.7 76.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -38.65 85.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.46 97.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.545 HD12 HD21 ' A' ' 682' ' ' LEU . 48.1 mt -68.17 -39.08 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.21 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.43 -42.86 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -33.71 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.55 -51.7 68.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.6 pt -70.45 -25.0 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -81.86 -32.23 31.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -100.99 -63.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 36.3 t -70.9 -48.61 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 117.65 -169.91 13.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.533 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.8 mp -100.96 31.69 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -123.57 62.2 23.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 172.53 13.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 1.8 t0 -129.23 175.8 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.04 -51.26 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.02 -29.7 70.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.549 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -67.79 -51.91 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.59 -30.08 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.12 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.7 m -84.17 -32.27 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.7 OUTLIER -71.1 -33.56 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.0 p -72.92 -50.14 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.71 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -62.76 -63.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.545 HD21 HD12 ' A' ' 658' ' ' ILE . 42.2 mt -70.01 -13.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.14 66.1 0.65 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.492 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -151.1 151.33 29.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.492 ' HD2' HD23 ' A' ' 684' ' ' LEU . 77.7 Cg_exo -50.23 152.05 8.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -66.8 -45.41 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 688' ' ' THR . 9.2 p90 -57.85 -27.46 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 25.2 m -58.28 -45.95 86.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.14 -37.55 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.75 -37.65 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -72.56 -30.67 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.5 -58.31 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -58.66 -30.37 67.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -82.04 -29.97 31.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -83.0 -15.24 51.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.353 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -98.41 -31.07 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.533 ' HG2' HD22 ' A' ' 668' ' ' LEU . 17.3 mtm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.79 0.329 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.9 t -81.04 160.92 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.81 -31.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 658' ' ' ILE . 9.3 mm-40 -71.56 -36.93 71.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 659' ' ' LEU . . . -69.32 -41.19 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.77 93.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 654' ' ' GLU . 7.3 mt -70.67 -30.77 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 655' ' ' ALA . 4.8 mt -71.01 -41.57 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.92 -43.73 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.742 ' CE2' HG21 ' A' ' 666' ' ' VAL . 32.0 t80 -70.16 -35.67 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 15.0 mt -73.97 -32.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -82.66 -24.72 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.17 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.742 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.6 t -69.85 -69.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.397 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.42 35.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 4.3 mp -94.21 -23.32 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -106.56 84.68 1.52 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.083 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.69 -168.86 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.614 2.209 . . . . 0.0 112.191 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.22 172.91 9.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -31.79 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -74.99 -31.66 61.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.09 -44.12 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.12 -31.91 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -66.5 -43.15 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.4 m -71.46 -46.08 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.98 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -46.54 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -70.66 -45.13 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.04 -60.63 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 30.7 mt -70.02 -16.8 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.217 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.9 t0 67.61 32.65 5.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.27 147.16 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.5 171.78 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.497 2.131 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.08 -46.66 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.6 -31.52 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 19.4 m -65.02 -34.06 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -79.9 -36.99 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.43 -41.55 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.18 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.24 -47.18 58.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.16 -40.04 93.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.33 73.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -68.59 -28.95 67.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.54 -35.32 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.447 ' NH1' HD22 ' A' ' 668' ' ' LEU . 6.2 mmp_? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.749 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.602 HG22 ' HB3' ' A' ' 655' ' ' ALA . 29.1 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.825 0.345 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 61.8 m -80.5 167.8 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.04 -36.11 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.616 ' O ' HD23 ' A' ' 659' ' ' LEU . . . -71.76 -38.89 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.57 -37.62 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.25 90.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.42 -33.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 655' ' ' ALA . 3.4 mm? -64.92 -39.46 93.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -69.5 -36.01 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 23.5 m -70.43 -34.76 72.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 678' ' ' LEU . 21.5 t80 -63.68 -40.61 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.505 HG23 ' HG ' ' A' ' 668' ' ' LEU . 6.9 mt -72.98 -33.08 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.05 -28.64 62.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -95.63 -41.95 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 -68.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.12 -148.91 20.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 663' ' ' ILE . 1.4 mp -119.68 28.63 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -140.94 56.8 7.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -169.41 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.581 2.188 . . . . 0.0 112.384 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.66 169.65 9.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -56.58 -29.24 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.7 -38.39 73.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.56 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' ILE . . . . . 0.653 HG23 HG21 ' A' ' 689' ' ' ILE . 48.4 mt -69.78 -32.53 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.23 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.4 m -69.63 -45.21 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 662' ' ' PHE . 1.4 mp -65.92 -46.32 78.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.1 t -59.43 -32.2 69.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -85.21 -43.59 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.04 -33.99 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.461 ' HB3' HD12 ' A' ' 684' ' ' LEU . 5.6 mt -96.91 -10.65 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.67 31.94 16.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.817 0.341 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 682' ' ' LEU . 9.3 mt -113.58 142.73 28.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.29 177.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -83.03 -44.33 15.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -54.98 -23.33 18.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 62.6 m -72.03 -38.28 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.941 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.653 HG21 HG23 ' A' ' 675' ' ' ILE . 33.0 mm -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.8 -34.14 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -70.5 -42.43 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.73 -49.32 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.04 -42.36 94.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.773 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.33 -39.81 89.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.95 -33.67 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -60.31 -33.48 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.426 HG22 ' HB3' ' A' ' 655' ' ' ALA . 27.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.4 p -60.24 150.29 30.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.78 -34.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.86 -37.33 84.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.506 ' CB ' HD22 ' A' ' 682' ' ' LEU . . . -67.15 -41.27 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.76 -30.67 69.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -68.54 -51.45 31.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.19 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 692' ' ' PHE . 1.7 mp -69.07 -47.71 64.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.56 -31.63 70.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 49.0 m -76.47 -38.22 55.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -61.21 -33.19 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 668' ' ' LEU . 4.9 mt -80.49 -32.68 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.7 -22.48 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -96.6 -42.08 8.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 25.8 t -96.6 -70.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.97 -161.48 31.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 663' ' ' ILE . 0.1 OUTLIER -107.67 30.54 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.793 0.33 . . . . 0.0 110.975 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 669' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 28.6 m-85 -144.86 69.52 14.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 147.66 43.7 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -81.01 159.0 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.9 -39.79 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.86 -30.53 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -72.29 -33.15 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.96 -30.59 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -75.51 -36.39 60.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -36.75 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.9 OUTLIER -70.88 -30.9 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 14.4 t -67.89 -44.61 76.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.88 -52.92 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 655' ' ' ALA . 9.4 mt -76.26 -11.7 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.3 31.47 17.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.901 0.382 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 688' ' ' THR . 1.0 OUTLIER -119.88 147.21 43.71 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.502 ' HD2' HD23 ' A' ' 684' ' ' LEU . 36.9 Cg_endo -65.83 153.3 78.74 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.416 2.077 . . . . 0.0 112.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -55.61 -36.2 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.65 -27.41 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.554 HG21 HD22 ' A' ' 684' ' ' LEU . 3.2 m -82.74 -31.42 28.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.223 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 26.9 mt -81.42 -35.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 690' ' ' ILE . . . . . 0.433 HG22 ' OE1' ' A' ' 694' ' ' GLN . 12.4 mt -70.1 -40.79 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.529 ' CE2' HD23 ' A' ' 659' ' ' LEU . 75.0 t80 -64.65 -54.82 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.4 -42.75 99.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 694' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 690' ' ' ILE . 25.3 mt-30 -64.79 -42.42 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.43 -37.81 84.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -64.48 -43.41 94.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 668' ' ' LEU . 10.2 mtm180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 89.4 p -60.19 172.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.81 -37.62 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.6 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.33 85.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.51 -35.53 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.25 80.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.31 -32.37 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.43 -38.3 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 663' ' ' ILE . 55.0 mt-30 -59.18 -51.2 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.4 m -59.84 -31.05 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 12.2 t80 -69.94 -31.84 69.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 660' ' ' GLN . 6.4 mt -76.04 -32.88 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -31.16 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -74.45 -66.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 143.55 -147.11 18.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.1 mt -124.98 31.14 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -139.84 63.98 27.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.51 163.78 37.89 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.529 2.152 . . . . 0.0 112.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.51 171.39 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.41 -30.26 62.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.54 -29.36 64.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.71 -39.94 35.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.76 -40.08 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.5 -43.64 72.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 -31.27 63.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.473 ' HB3' HD13 ' A' ' 689' ' ' ILE . 14.9 mt -67.73 -40.05 84.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 679' ' ' SER . . . . . 0.531 ' HA ' HD11 ' A' ' 689' ' ' ILE . 54.7 p -64.97 -44.01 90.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.28 64.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -55.12 32.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.88 32.3 6.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 684' ' ' LEU . 13.5 mt -119.73 148.72 46.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 174.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.612 2.208 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -80.06 -53.43 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -58.79 -31.06 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.3 m -61.2 -40.48 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 679' ' ' SER . 36.1 mt -75.3 -39.07 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.82 -51.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -59.33 -32.49 70.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -73.28 -59.0 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -59.81 -39.77 86.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.73 -33.73 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.98 -31.24 44.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -62.65 -33.45 75.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.878 0.37 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 9.6 m -68.6 146.7 52.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.38 -30.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.55 -32.66 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 659' ' ' LEU . . . -73.06 -37.48 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 656' ' ' LEU . 1.3 tm? -58.25 -57.98 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -53.28 -42.54 63.78 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.71 -40.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 692' ' ' PHE . 4.7 mp -60.77 -38.11 84.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.51 -44.2 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.0 m -60.32 -31.53 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 666' ' ' VAL . 43.8 t80 -67.33 -36.97 82.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 38.7 mt -73.42 -34.53 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -31.31 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -61.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 662' ' ' PHE . 21.5 t -79.07 -66.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.83 -159.12 23.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.46 HD22 ' HG2' ' A' ' 697' ' ' ARG . 2.4 mt -99.52 31.38 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -128.26 64.01 65.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 670' ' ' PRO . . . . . 0.423 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 59.0 Cg_endo -71.99 142.78 39.27 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.579 2.186 . . . . 0.0 112.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -101.92 172.12 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.42 -27.29 15.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -34.68 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -77.47 -33.16 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.3 mt -76.88 -23.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -88.53 -29.87 19.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 678' ' ' LEU . 5.8 t -76.91 -29.21 55.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 677' ' ' THR . 7.6 mp -81.77 -44.91 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -38.92 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -74.54 -46.38 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -66.29 -47.86 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 41.4 mt -80.11 -19.62 46.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.72 40.36 2.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.51 152.12 52.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.26 169.66 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.177 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.17 19.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 688' ' ' THR . 15.9 p90 -61.63 -31.45 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 1.6 m -63.38 -38.86 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.12 -38.55 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.7 mt -73.43 -30.45 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -78.68 -31.17 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 659' ' ' LEU . 53.6 t80 -69.75 -56.74 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 693' ' ' PHE . . . . . 0.423 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 36.9 m-85 -59.14 -32.92 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.62 -30.77 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.08 -45.73 90.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -66.02 -30.97 71.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.46 ' HG2' HD22 ' A' ' 668' ' ' LEU . 1.3 mmp_? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.678 HG22 ' HB3' ' A' ' 655' ' ' ALA . 25.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.55 160.73 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.16 -43.44 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -71.47 -33.07 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 659' ' ' LEU . 6.5 tp -75.02 -31.69 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.6 -37.17 89.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.456 ' HB ' HD21 ' A' ' 682' ' ' LEU . 26.6 mt -73.91 -35.85 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 656' ' ' LEU . 21.6 mt -62.7 -50.96 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.34 -43.51 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.6 m -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 30.5 t80 -72.44 -33.1 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.77 -30.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -79.49 -29.9 41.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.74 -53.33 3.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.684 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -86.72 -67.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 140.02 -146.33 17.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.62 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.519 HD23 ' HD1' ' A' ' 693' ' ' PHE . 0.8 OUTLIER -124.12 40.68 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -150.77 62.51 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.15 168.25 24.6 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 2.0 m-20 -109.42 -177.53 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -29.85 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -71.34 -57.5 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.244 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.14 -29.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.6 m -72.34 -43.66 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 662' ' ' PHE . 2.5 mp -60.07 -40.98 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -45.49 91.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.93 -53.66 50.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 658' ' ' ILE . 62.4 mt -69.98 -17.47 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.12 32.09 6.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -124.93 145.71 50.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 53.2 Cg_exo -52.31 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -83.9 -39.49 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 14.4 p90 -57.3 -30.39 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.668 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -67.71 -38.25 83.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 693' ' ' PHE . 23.0 mt -76.26 -37.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.61 -32.68 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.27 -29.64 34.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 659' ' ' LEU . 58.0 t80 -77.36 -36.11 53.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 693' ' ' PHE . . . . . 0.519 ' HD1' HD23 ' A' ' 668' ' ' LEU . 7.4 m-85 -79.16 -30.76 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.31 -40.82 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -68.78 -41.12 79.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 668' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.647 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.0 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.735 0.302 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -108.13 174.15 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.01 -30.75 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 658' ' ' ILE . 1.4 tt0 -66.02 -38.83 89.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.647 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -66.46 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -57.12 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -54.59 -46.79 73.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.676 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 654' ' ' GLU . 16.7 mt -65.64 -35.31 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.07 -31.84 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.31 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.5 m -62.15 -37.28 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 678' ' ' LEU . 27.2 t80 -60.24 -43.85 95.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.747 HG23 ' HG ' ' A' ' 668' ' ' LEU . 39.4 mt -74.48 -30.26 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -81.26 -28.2 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.56 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 662' ' ' PHE . 28.0 t -69.99 -68.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.68 30.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 663' ' ' ILE . 0.4 OUTLIER -108.02 26.12 10.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 669' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 15.0 m-85 -137.06 73.91 50.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 670' ' ' PRO . . . . . 0.43 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 60.7 Cg_endo -72.75 162.43 41.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.16 . . . . 0.0 112.405 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -109.07 178.12 4.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.32 -36.03 76.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.0 -31.16 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 674' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -64.79 -39.46 93.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.92 -38.46 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.4 m -80.45 -30.83 37.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 674' ' ' ALA . 1.5 mt -76.68 -31.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -50.7 47.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.56 94.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.48 -56.05 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.08 -20.57 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.11 31.85 8.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.4 mt -116.16 149.53 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.8 157.41 2.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.5 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.2 p90 -60.28 -35.61 75.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.445 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 13.9 m -60.72 -35.93 77.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 689' ' ' ILE . . . . . 0.476 HG22 ' HD2' ' A' ' 693' ' ' PHE . 37.3 mt -73.47 -36.75 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.95 -42.94 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -65.02 -36.45 84.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.2 -58.8 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.803 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 693' ' ' PHE . . . . . 0.476 ' HD2' HG22 ' A' ' 689' ' ' ILE . 21.3 m-85 -56.22 -30.72 62.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -70.81 -32.73 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.95 -2.75 58.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.215 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.0 -20.82 26.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.132 -179.799 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 651' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 655' ' ' ALA . 31.2 mt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.886 0.374 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 17.7 t -67.81 162.92 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 31.7 t -58.12 -44.19 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.42 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -67.47 -34.51 77.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.25 -36.74 82.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.36 95.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.3 mt -71.04 -41.78 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 692' ' ' PHE . 7.6 mp -64.87 -39.74 94.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 663' ' ' ILE . 9.1 mm100 -59.1 -43.65 91.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.4 m -61.46 -37.59 84.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.4 -35.22 78.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' ILE . . . . . 0.614 HG23 ' CD1' ' A' ' 668' ' ' LEU . 37.0 mt -70.21 -30.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.59 -30.45 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -67.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.42 -67.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.82 -154.16 25.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 663' ' ' ILE . 3.3 mm? -104.29 31.29 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -140.15 74.43 30.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.91 135.97 34.0 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.238 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.31 -179.63 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.46 -50.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.04 74.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.49 -42.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.88 -52.91 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 15.7 m -59.53 -47.53 85.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.45 -41.17 98.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 6.3 t -73.82 -29.99 62.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -81.15 -54.08 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.62 -30.67 67.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 682' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 659' ' ' LEU . 95.9 mt -95.23 -16.98 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.292 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.29 31.84 12.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.4 OUTLIER -114.21 153.06 46.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.726 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 684' ' ' LEU . 71.6 Cg_exo -48.64 162.75 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.545 2.163 . . . . 0.0 112.543 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -75.76 -45.95 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 687' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.7 p90 -58.88 -31.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 688' ' ' THR . . . . . 0.462 HG21 HD22 ' A' ' 684' ' ' LEU . 11.6 m -64.0 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.17 -45.68 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.09 -35.74 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -69.17 -36.94 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 692' ' ' PHE . . . . . 0.781 ' CD2' HD23 ' A' ' 659' ' ' LEU . 44.1 t80 -67.23 -49.63 63.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -63.94 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -80.67 -49.61 10.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -58.36 -30.25 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.57 -51.59 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.006 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 48.2 p30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.02 117.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -144.96 74.36 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 645' ' ' THR . 4.8 ttmm -140.75 31.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 644' ' ' LYS . 0.7 OUTLIER -167.63 138.8 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -127.94 142.45 44.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.65 153.46 18.77 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.444 2.096 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -76.16 133.92 40.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.39 163.98 29.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 63.07 70.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt 63.34 125.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.3 m -71.02 165.54 23.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.75 -44.17 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.511 ' OE2' HD11 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -65.97 -31.69 72.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.461 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -75.22 -36.61 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.92 -42.12 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.63 -42.07 99.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.511 HD11 ' OE2' ' A' ' 654' ' ' GLU . 22.0 mt -76.28 -35.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.27 -46.41 77.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.51 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -64.34 -32.29 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -37.88 84.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 35.3 mt -73.18 -41.08 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.45 -57.23 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 28.5 t -83.45 -67.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.68 -154.0 25.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 3.0 mp -114.85 51.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -152.62 69.9 7.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 165.87 31.56 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 4.7 m-20 -119.05 177.37 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.01 -39.54 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.06 -30.78 62.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.52 -42.24 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 38.0 mt -71.49 -42.57 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.1 m -77.06 -47.52 20.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 674' ' ' ALA . 11.0 mt -63.85 -41.28 97.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 55.3 p -61.95 -37.88 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -80.26 -32.04 38.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.24 -51.34 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.461 HD23 ' HB1' ' A' ' 655' ' ' ALA . 2.9 mp -75.17 -13.2 60.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.23 37.94 3.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -125.77 148.81 63.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -179.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.606 2.204 . . . . 0.0 112.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -87.09 -42.21 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -60.2 -32.84 71.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.5 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -60.16 -32.03 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.03 -41.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 35.4 mt -64.84 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -70.08 -38.81 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.33 -58.62 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.15 -42.23 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.22 -43.73 92.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.68 -49.69 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -29.68 70.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -58.79 -30.99 68.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -85.97 -26.77 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.21 -42.93 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.45 -32.85 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -72.57 -59.45 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.32 -75.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -60.01 132.15 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -110.11 51.88 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -170.09 124.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.9 mp -96.94 166.61 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.1 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.902 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 60.86 174.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.71 105.68 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -137.26 78.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.6 p -78.97 120.2 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -153.75 61.99 3.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.96 -27.63 20.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.564 2.176 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -174.43 95.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.41 -65.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -169.35 133.92 1.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.533 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 21.7 mt 65.14 115.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 171.59 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.28 -30.69 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.53 -42.84 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -71.39 -39.67 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 692' ' ' PHE . 6.3 tp -67.03 -38.56 86.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.77 97.54 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.87 -38.19 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.356 . . . . 0.0 110.998 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.437 ' HG ' HD11 ' A' ' 682' ' ' LEU . 52.1 mt -67.09 -40.44 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.664 ' HA ' HD12 ' A' ' 663' ' ' ILE . 3.4 mt-30 -59.18 -39.5 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -64.15 -36.29 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.857 ' CE1' HG21 ' A' ' 666' ' ' VAL . 44.3 t80 -68.01 -31.95 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 660' ' ' GLN . 15.8 mt -75.1 -30.27 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -81.11 -27.64 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -64.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.857 HG21 ' CE1' ' A' ' 662' ' ' PHE . 22.6 t -69.9 -68.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 160.87 -104.14 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.487 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.2 mt -137.46 -67.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.625 0.25 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.32 112.12 11.7 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.89 -169.11 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.578 2.186 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 40.4 t0 -125.84 160.6 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -52.87 -28.19 21.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.54 -28.98 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -78.62 -41.57 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.214 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 689' ' ' ILE . 45.5 mt -65.29 -46.25 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.9 -43.37 94.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.3 m -72.05 -42.86 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.71 -31.15 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.9 m -62.64 -51.01 68.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.57 -44.37 90.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -61.42 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 655' ' ' ALA . 94.7 mt -71.11 -16.35 62.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 66.4 32.11 7.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 42.2 mt -116.94 143.54 31.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.95 172.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 690' ' ' ILE . 18.2 p90 -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.42 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.533 HD12 HG23 ' A' ' 675' ' ' ILE . 44.7 mt -70.99 -37.73 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 687' ' ' TYR . 14.2 mt -70.51 -30.7 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -81.32 -29.28 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' A' ' 656' ' ' LEU . 89.0 t80 -79.23 -47.32 16.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.9 -30.68 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.69 -47.61 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -57.3 -29.41 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.96 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -66.97 -51.22 57.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -58.53 -34.99 71.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.01 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.4 -26.75 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.12 40.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.992 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -173.69 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -80.15 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -133.31 120.1 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -99.64 28.13 16.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.43 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -135.79 123.54 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.88 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.809 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.914 0.388 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.14 159.0 24.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -133.27 161.95 33.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 645' ' ' THR . 28.3 tttm -140.83 168.03 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 645' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 644' ' ' LYS . 0.7 OUTLIER -163.0 -177.55 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -122.08 54.59 5.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.77 112.23 3.44 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.308 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 60.54 165.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 5.8 t -134.78 32.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -118.49 152.32 36.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.681 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 28.1 mt 64.53 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 2.6 t -87.03 166.13 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.0 t -60.4 -29.98 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.05 -44.06 91.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.681 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -65.4 -37.1 85.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.91 -41.94 97.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.55 -52.94 50.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.385 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.73 -39.71 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.11 -42.33 99.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 663' ' ' ILE . 11.9 mt-30 -58.88 -44.14 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.8 m -59.47 -31.58 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 53.7 t80 -72.63 -30.25 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 667' ' ' GLY . 21.4 mt -77.59 -33.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -75.16 -31.19 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.16 -65.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.3 t -69.93 -57.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' GLY . . . . . 0.727 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 133.67 -107.73 0.7 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.49 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 696' ' ' GLN . 0.5 OUTLIER -164.71 31.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -143.33 57.12 5.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.68 178.1 6.12 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.609 2.206 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.84 173.6 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.774 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -57.51 -29.58 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.92 -31.72 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.44 60.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.4 -32.28 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.0 -40.07 87.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 3.3 m -72.8 -33.84 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.91 -31.18 61.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' SER . . . . . 0.46 ' HA ' HD11 ' A' ' 689' ' ' ILE . 10.8 t -68.2 -44.54 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.2 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -61.22 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.13 -10.59 59.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.367 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.58 30.84 10.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 24.2 mt -114.45 143.05 29.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.15 -176.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.527 2.152 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' LYS . . . . . 0.511 ' HB3' HD11 ' A' ' 690' ' ' ILE . 2.3 mptp? -84.62 -48.38 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 688' ' ' THR . 14.6 p90 -48.14 -32.54 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.419 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 42.6 m -71.75 -45.99 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.989 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 679' ' ' SER . 33.6 mt -69.7 -36.55 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 686' ' ' LYS . 13.4 mt -69.93 -49.84 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -60.75 -37.71 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -65.29 -56.56 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.88 -31.08 71.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -44.45 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -59.26 -32.19 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 696' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 668' ' ' LEU . 52.5 mm-40 -70.6 -34.97 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.42 -41.51 72.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -74.66 -34.4 62.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -62.05 -32.89 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.56 -28.69 28.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -97.7 28.9 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -121.71 -42.36 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 706' ' ' LEU . 7.5 p80 -108.05 148.33 29.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -74.69 -27.22 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -148.12 130.08 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.439 ' HB3' ' CE1' ' A' ' 703' ' ' HIS . 1.6 pp -86.4 161.37 18.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.963 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.813 0.34 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.27 98.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.5 121.81 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.75 35.61 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.83 105.65 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.85 88.99 3.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.55 168.42 21.33 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.55 2.166 . . . . 0.0 112.308 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.39 121.05 14.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 2.7 t -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -176.74 167.15 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 19.9 mt 63.02 118.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.25 171.38 9.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.8 -32.0 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.21 -46.19 84.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.42 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.44 -36.68 84.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.12 71.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.85 -42.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.39 -34.34 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.718 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.43 -41.34 93.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.1 m -63.61 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.408 ' CE2' HG21 ' A' ' 666' ' ' VAL . 24.0 t80 -60.18 -37.29 79.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 667' ' ' GLY . 22.4 mt -72.19 -32.31 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.83 -28.05 28.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.52 -67.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 662' ' ' PHE . 33.2 t -69.98 -69.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 169.52 -95.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.21 -57.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.94 112.17 11.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.78 150.62 14.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.475 2.117 . . . . 0.0 112.372 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.65 161.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.78 -36.76 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.01 -29.28 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.434 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -74.31 -37.42 63.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.3 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.54 -33.88 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -56.28 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.791 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -46.78 88.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 674' ' ' ALA . 21.2 mt -60.84 -40.45 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.6 m -63.57 -57.78 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.12 78.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -58.32 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.58 -11.23 60.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.37 31.39 15.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 110.747 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 29.2 mt -119.84 144.78 38.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.575 2.183 . . . . 0.0 112.212 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -96.22 -39.4 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.421 ' HA ' HD12 ' A' ' 690' ' ' ILE . 16.9 p90 -57.17 -31.08 65.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 34.2 m -72.83 -36.03 67.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.69 -35.14 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.4 mt -72.98 -37.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -66.99 -32.42 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -64.31 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -59.02 -29.12 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 694' ' ' GLN . . . . . 0.436 ' HG2' ' CD1' ' A' ' 698' ' ' TYR . 1.4 tt0 -78.39 -28.75 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -79.97 -27.03 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -80.3 -31.36 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.179 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -47.03 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 698' ' ' TYR . . . . . 0.436 ' CD1' ' HG2' ' A' ' 694' ' ' GLN . 4.0 m-85 -61.35 -19.97 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.63 -41.79 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.19 25.55 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -39.67 2.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -98.56 -52.13 3.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -75.56 -80.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 117.99 -79.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.621 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -88.62 -178.67 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.17 -65.72 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.31 150.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.08 173.79 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -143.57 32.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 3.7 p -143.83 151.41 39.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 101.23 8.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 154.7 72.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.412 2.074 . . . . 0.0 112.254 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 145.89 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 1.9 t -117.82 156.02 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.0 171.9 13.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 688' ' ' THR . 18.3 mt -93.59 82.54 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 4.2 m -59.29 178.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.91 -30.8 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.02 -42.26 94.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.07 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 58.5 tp -68.21 -31.03 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.14 30.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 35.2 mt -69.91 -43.7 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.35 -38.77 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.85 -43.78 94.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.5 m -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 678' ' ' LEU . 18.5 t80 -69.01 -31.01 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.98 -49.27 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -68.5 -30.07 68.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.34 -66.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.5 t -80.45 -67.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 152.79 -155.12 25.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.1 33.05 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -155.87 72.79 5.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' PRO . . . . . 0.425 ' HG3' ' CE2' ' A' ' 693' ' ' PHE . 60.5 Cg_endo -72.7 161.83 42.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.586 2.19 . . . . 0.0 112.267 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.93 168.66 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.73 -40.61 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -30.33 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.49 -43.4 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.36 -30.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.73 -41.87 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.2 m -71.13 -33.37 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 662' ' ' PHE . 0.2 OUTLIER -68.75 -39.37 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 84.0 p -68.55 -40.17 80.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.37 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.78 -14.89 63.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.359 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 65.82 32.82 8.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.19 150.19 43.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.68 177.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.525 2.15 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.85 -45.89 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.0 -31.44 68.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 651' ' ' ILE . 31.5 m -67.34 -33.94 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.3 mt -71.83 -27.0 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.48 -50.12 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.6 -43.03 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -62.38 -53.37 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 670' ' ' PRO . 4.0 m-85 -59.25 -47.06 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.82 -40.05 96.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -75.51 -27.79 58.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -56.7 -30.81 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.45 -40.53 91.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.79 -32.8 31.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -52.66 -32.57 42.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.16 21.96 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -171.6 32.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -173.87 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.29 -176.53 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 177.98 167.16 35.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.47 100.55 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -36.67 83.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.02 151.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -169.49 100.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 88.91 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 15.1 p 55.69 103.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.96 144.41 53.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.37 167.3 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.474 2.116 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER 62.25 148.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 44.3 p -83.08 -45.59 13.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.198 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 59.37 160.99 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 684' ' ' LEU . 33.1 mt -125.31 136.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 11.7 p -59.36 151.33 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 27.6 t -59.63 -41.65 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -36.14 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.57 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -65.71 -39.2 90.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 656' ' ' LEU . 10.4 tp -63.23 -39.73 95.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.49 98.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.01 -35.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 692' ' ' PHE . 8.0 tp -71.59 -38.29 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.2 m -58.04 -42.09 84.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.463 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 11.0 t80 -59.14 -53.61 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.717 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 692' ' ' PHE . 74.2 mt -51.23 -26.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.59 -21.12 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.77 -82.49 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.633 0.254 . . . . 0.0 111.533 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 11.8 t -104.92 -28.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 0.0 111.47 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' GLY . . . . . 0.463 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.46 106.09 0.14 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.057 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 669' ' ' TYR . 2.6 mt 175.21 -37.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.378 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 668' ' ' LEU . 22.2 m-85 -140.84 56.86 7.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 40.1 Cg_endo -67.51 151.43 79.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.543 2.162 . . . . 0.0 112.319 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -109.48 -177.07 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -54.87 -28.85 53.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.76 -32.07 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -79.79 -39.65 30.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.56 -44.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -65.71 -42.76 90.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 m -70.44 -55.5 8.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 678' ' ' LEU . 37.4 mt -59.44 -31.12 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 679' ' ' SER . . . . . 0.637 ' HA ' HD11 ' A' ' 689' ' ' ILE . 13.4 t -59.71 -54.35 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.72 54.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -68.73 -34.33 75.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.31 1.61 33.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 59.17 31.04 20.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 651' ' ' ILE . 17.9 mt -119.01 148.42 44.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 -176.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.572 2.181 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -56.13 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 690' ' ' ILE . 31.5 p90 -58.23 -29.88 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.465 HG21 HD22 ' A' ' 684' ' ' LEU . 20.8 m -59.04 -36.59 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 679' ' ' SER . 30.8 mt -81.69 -30.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 687' ' ' TYR . 42.5 mt -69.5 -37.0 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.93 57.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.54 ' CZ ' HD23 ' A' ' 659' ' ' LEU . 16.4 t80 -66.19 -55.13 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' PHE . . . . . 0.453 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 28.5 m-85 -60.24 -35.91 76.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -32.36 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.35 -37.63 83.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -64.89 -45.07 87.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -36.82 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 699' ' ' TYR . . . . . 0.533 ' CD1' HD13 ' A' ' 706' ' ' LEU . 34.2 t80 -76.16 -29.46 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.2 39.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 -47.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.01 -53.77 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 29.3 m170 62.27 91.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 173.22 -77.4 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.568 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -134.47 148.09 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 699' ' ' TYR . 0.6 OUTLIER -123.85 160.34 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.915 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.31 69.71 0.37 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -72.05 133.44 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.1 172.01 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.92 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.13 127.92 89.78 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.68 80.17 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.369 2.046 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 82.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 9.5 t -151.2 -170.7 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -102.1 152.73 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 110.762 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.808 HG23 HD11 ' A' ' 684' ' ' LEU . 24.2 mt 66.43 131.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 37.0 p -59.1 158.53 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.56 -29.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.37 -44.04 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.991 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -67.93 -35.09 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 656' ' ' LEU . 0.3 OUTLIER -59.88 -55.67 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.38 50.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.715 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 51.5 mt -69.47 -40.07 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.62 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -69.87 -32.91 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 16.9 m -70.23 -32.52 70.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 666' ' ' VAL . 53.0 t80 -68.21 -37.59 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.87 -42.57 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.49 -28.56 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.31 -63.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.501 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.9 t -75.49 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 141.44 -134.97 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.612 HD23 ' HG2' ' A' ' 697' ' ' ARG . 5.0 mp -124.86 31.37 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -137.12 65.75 51.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.49 164.73 34.76 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.42 178.36 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.5 66.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.72 -37.12 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.26 -32.08 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -43.5 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -66.07 -36.29 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.8 mp -75.29 -37.73 60.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 18.0 t -58.88 -31.58 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -87.75 -34.11 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.38 -35.14 58.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.991 HD23 ' HB1' ' A' ' 655' ' ' ALA . 3.4 mp -93.77 -13.63 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.27 40.34 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 651' ' ' ILE . 17.7 mt -127.8 148.4 66.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 174.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.497 2.131 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.28 -45.85 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.59 -31.53 68.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 1.3 m -59.28 -41.69 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.63 -34.95 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 52.6 mt -67.74 -30.49 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -82.04 -31.5 30.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.02 -48.78 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.33 -46.1 81.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.48 -38.17 83.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -72.03 -31.65 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -63.72 -39.26 93.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.612 ' HG2' HD23 ' A' ' 668' ' ' LEU . 0.7 OUTLIER -59.82 -35.43 74.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -87.72 -44.83 10.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' TYR . . . . . 0.435 ' CE1' ' HA2' ' A' ' 704' ' ' GLY . 37.3 t80 -47.84 -28.69 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.57 -24.13 15.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -102.37 30.62 4.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -152.57 -79.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 705' ' ' LYS . 0.0 OUTLIER -179.07 -177.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.997 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 704' ' ' GLY . . . . . 0.435 ' HA2' ' CE1' ' A' ' 699' ' ' TYR . . . -78.82 60.99 4.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 703' ' ' HIS . 5.2 ttmm -71.33 102.3 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 178.77 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -94.63 80.82 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -168.58 116.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt 60.21 102.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 3.2 p -133.92 107.61 7.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 60.17 90.83 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.82 176.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.546 2.164 . . . . 0.0 112.432 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.68 168.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 649' ' ' THR . 9.4 t -121.98 112.85 18.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.189 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 156.26 34.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.644 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.6 mt -71.84 121.42 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.1 m -74.39 168.54 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.14 -30.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -60.41 -49.42 77.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.766 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.644 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.43 -40.65 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.56 -54.88 34.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.423 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 654' ' ' GLU . 6.2 mt -65.17 -30.74 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 682' ' ' LEU . 0.5 OUTLIER -60.85 -50.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.2 -35.05 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -49.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.49 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 16.0 t80 -67.54 -53.43 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.722 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 659' ' ' LEU . 16.1 mt -50.84 -26.72 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -86.62 -21.49 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.17 -77.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 111.245 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 15.6 t -114.98 -27.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' GLY . . . . . 0.49 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.92 111.82 0.93 Allowed Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.222 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 2.0 mt 177.65 -40.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.234 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 17.8 m-85 -145.11 58.82 5.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.719 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.73 149.93 78.93 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.568 2.179 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.99 -176.31 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.31 -31.33 65.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -32.9 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.472 ' O ' HD23 ' A' ' 678' ' ' LEU . . . -70.16 -40.77 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 689' ' ' ILE . 31.3 mt -72.24 -30.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -66.58 -44.5 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -73.72 -41.05 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 674' ' ' ALA . 2.7 mm? -58.75 -45.95 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.7 m -61.31 -52.19 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.36 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -54.25 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.643 HD13 HD21 ' A' ' 659' ' ' LEU . 0.7 OUTLIER -86.78 5.04 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.391 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.46 29.67 15.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.871 0.367 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.89 144.59 29.94 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.002 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 50.6 Cg_exo -53.18 -176.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.571 2.181 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -87.93 -34.74 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 17.1 p90 -64.63 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 24.1 m -69.44 -34.64 74.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 675' ' ' ILE . 30.8 mm -71.93 -29.31 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.58 -33.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -81.94 -35.7 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 659' ' ' LEU . 38.2 t80 -69.9 -53.63 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.89 -41.31 86.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.77 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -60.58 -29.49 69.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -57.28 -32.3 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -74.16 -30.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -76.65 -20.23 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -66.17 -43.95 85.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.988 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.86 47.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -177.61 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -94.84 -175.74 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 61.48 164.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -105.58 174.25 20.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.57 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.07 107.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.04 -78.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.93 88.39 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -145.8 151.13 37.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -110.4 135.73 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.7 p -96.85 133.05 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -69.34 123.76 89.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.8 176.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.497 2.131 . . . . 0.0 112.26 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 61.02 113.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 649' ' ' THR . 8.1 t -59.38 114.04 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -102.72 90.93 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 684' ' ' LEU . 34.3 mt -82.74 138.34 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 75.2 m -59.92 147.94 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.54 -35.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -40.66 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -67.32 -44.95 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.4 -35.69 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.22 -45.26 56.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.4 -33.76 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -53.03 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.9 m -65.16 -36.3 83.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.29 -37.64 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.19 -31.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -31.22 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.96 -43.09 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.66 -67.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 148.6 -161.75 28.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.96 31.65 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -142.94 70.73 18.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.29 -175.28 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.558 2.172 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.36 166.28 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -47.03 86.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.74 -30.74 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.531 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -61.5 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.55 -33.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.78 -41.5 87.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.7 m -76.08 -35.63 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 674' ' ' ALA . 2.3 mt -69.65 -35.89 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.4 m -65.46 -42.21 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.99 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -79.82 -55.2 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' A' ' 655' ' ' ALA . 43.2 mt -71.94 -13.85 61.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.251 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 64.8 31.65 11.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 651' ' ' ILE . 19.5 mt -115.4 145.73 35.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 169.46 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.461 2.107 . . . . 0.0 112.209 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -52.67 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -59.22 -32.71 70.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 28.4 m -59.28 -34.73 72.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.5 mt -79.57 -32.48 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.99 -38.44 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.17 -31.03 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.95 -42.6 48.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -50.53 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.809 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.24 -28.0 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' GLN . . . . . 0.435 ' O ' HD23 ' A' ' 700' ' ' LEU . 43.8 mm-40 -57.5 -58.22 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -60.72 -50.31 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -58.54 -33.89 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -62.96 -45.94 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 700' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 696' ' ' GLN . 0.8 OUTLIER -95.52 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -62.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -82.39 -56.28 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -83.26 178.34 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -111.9 -74.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -132.8 123.55 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.59 -75.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.895 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.729 0.3 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -69.38 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.8 161.75 13.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 163.31 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.71 178.93 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.92 88.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -27.46 28.48 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.596 2.197 . . . . 0.0 112.438 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.982 0.42 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.36 32.44 12.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.054 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 118.87 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.462 HG22 ' HB3' ' A' ' 655' ' ' ALA . 22.1 mt -98.72 138.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 3.5 m -66.05 154.96 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.65 -28.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 658' ' ' ILE . 46.1 mm-40 -57.52 -47.74 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -70.38 -40.02 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.42 -39.06 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.33 -59.1 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 654' ' ' GLU . 3.7 mt -60.5 -31.18 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 692' ' ' PHE . 1.1 mp -62.29 -46.28 89.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.47 -34.75 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -63.09 -41.06 99.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.56 -36.97 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 26.1 mt -75.22 -31.37 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.99 -29.48 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.57 -36.67 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.32 -68.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 147.65 -156.33 26.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 668' ' ' LEU . 0.8 OUTLIER -103.67 36.45 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -138.17 67.79 47.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -175.52 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ASP . . . . . 0.543 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 3.5 t70 -140.36 175.08 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -57.54 -37.95 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -29.56 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.543 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -74.96 -50.63 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.538 HG22 ' HG3' ' A' ' 686' ' ' LYS . 43.3 mt -63.57 -34.07 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -46.48 86.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.6 m -75.79 -31.06 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.3 OUTLIER -70.06 -40.29 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -42.3 97.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -68.99 -50.5 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.42 -32.23 73.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 655' ' ' ALA . 61.6 mt -89.85 -19.28 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.35 30.97 15.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.818 0.342 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 685' ' ' PRO . 11.8 mt -127.98 147.79 64.63 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 684' ' ' LEU . 5.3 Cg_endo -47.98 166.3 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.828 2.352 . . . . 0.0 112.282 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 686' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.84 -37.62 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.566 ' HA ' HD12 ' A' ' 690' ' ' ILE . 8.7 p90 -57.62 -21.72 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.287 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 m -78.08 -40.93 36.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.58 -34.32 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.1 mt -71.24 -42.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 691' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 695' ' ' ASN . 5.5 mtpp -63.6 -31.52 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.698 ' CD2' HD23 ' A' ' 659' ' ' LEU . 84.6 t80 -76.59 -42.52 42.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.71 -31.49 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -78.96 -31.51 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 691' ' ' LYS . 26.2 m-80 -81.12 -29.34 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.19 -38.87 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -65.41 -34.5 78.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.02 12.03 23.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -100.05 -30.42 11.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 8.1 mt -96.53 39.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -169.68 -63.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -73.88 -70.25 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -60.72 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -83.44 -51.77 3.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.39 48.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 6.7 mt 60.94 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.89 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -130.27 -48.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.11 161.97 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -98.4 106.61 18.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 10.0 p -91.75 89.06 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.25 90.38 20.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.29 -53.77 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.445 2.097 . . . . 0.0 112.284 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 54.29 93.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 3.2 m -163.33 147.2 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -110.96 169.47 8.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.636 HD11 ' CG2' ' A' ' 688' ' ' THR . 3.2 mt 62.1 116.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 169.72 17.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.62 -33.75 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.44 -44.19 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.539 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.27 -44.95 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.1 96.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.53 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.05 -34.52 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.031 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.709 HD23 ' CE2' ' A' ' 692' ' ' PHE . 6.4 tp -65.84 -42.72 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 663' ' ' ILE . 25.5 mm100 -59.89 -38.16 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -66.33 -32.69 74.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 660' ' ' GLN . 18.8 mt -76.72 -30.73 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -31.0 53.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.31 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 137.22 -155.19 22.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.6 mp -103.76 31.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -138.47 73.94 41.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.95 139.17 35.54 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.74 174.08 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.17 -39.31 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -30.67 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.45 96.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.53 -31.24 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.88 -39.55 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.3 m -77.31 -48.15 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.28 -31.99 70.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 88.3 p -68.22 -45.99 71.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -58.07 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 659' ' ' LEU . 48.2 mt -71.51 -14.23 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 15.9 t0 70.44 34.73 2.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 684' ' ' LEU . 3.4 mm? -122.09 140.61 32.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.39 179.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -44.31 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.15 -31.14 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 651' ' ' ILE . 27.8 m -58.87 -37.01 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.99 -42.51 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.32 -48.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.41 -43.4 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.709 ' CE2' HD23 ' A' ' 659' ' ' LEU . 68.0 t80 -68.52 -55.49 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -58.4 -30.35 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.19 -48.74 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.42 -30.22 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 696' ' ' GLN . . . . . 0.403 ' O ' HD13 ' A' ' 700' ' ' LEU . 7.9 mm-40 -59.93 -39.38 85.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.512 ' HG2' HD22 ' A' ' 668' ' ' LEU . 37.2 mtp180 -76.9 -33.93 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.61 -47.14 73.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 699' ' ' TYR . . . . . 0.501 ' OH ' HD12 ' A' ' 706' ' ' LEU . 34.5 t80 -60.04 -30.26 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 700' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 696' ' ' GLN . 6.8 mp -95.76 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.36 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -47.68 84.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -96.43 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 104.56 -40.29 2.52 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -149.64 142.66 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.501 HD12 ' OH ' ' A' ' 699' ' ' TYR . 0.2 OUTLIER -70.99 139.85 50.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.928 0.394 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.84 157.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.838 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -104.09 130.06 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.86 133.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 4.6 t -155.54 153.63 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.5 106.23 0.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.8 102.14 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.13 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 96.86 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 1.8 t 41.38 80.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.787 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 133.0 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 655' ' ' ALA . 30.5 mt -97.41 133.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.54 156.08 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.39 -37.03 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -44.73 96.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.791 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -68.25 -34.7 76.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -38.65 85.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.46 97.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.545 HD12 HD21 ' A' ' 682' ' ' LEU . 48.1 mt -68.17 -39.08 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.21 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.43 -42.86 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -33.71 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.55 -51.7 68.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.6 pt -70.45 -25.0 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -81.86 -32.23 31.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -100.99 -63.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 36.3 t -70.9 -48.61 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 117.65 -169.91 13.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.533 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.8 mp -100.96 31.69 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -123.57 62.2 23.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 172.53 13.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 1.8 t0 -129.23 175.8 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.04 -51.26 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.02 -29.7 70.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.549 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -67.79 -51.91 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.59 -30.08 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.12 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.7 m -84.17 -32.27 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.7 OUTLIER -71.1 -33.56 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.0 p -72.92 -50.14 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.71 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -62.76 -63.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.545 HD21 HD12 ' A' ' 658' ' ' ILE . 42.2 mt -70.01 -13.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.14 66.1 0.65 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.492 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -151.1 151.33 29.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.492 ' HD2' HD23 ' A' ' 684' ' ' LEU . 77.7 Cg_exo -50.23 152.05 8.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -66.8 -45.41 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 688' ' ' THR . 9.2 p90 -57.85 -27.46 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 25.2 m -58.28 -45.95 86.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.14 -37.55 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.75 -37.65 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -72.56 -30.67 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.5 -58.31 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -58.66 -30.37 67.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -82.04 -29.97 31.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -83.0 -15.24 51.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.353 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 696' ' ' GLN . . . . . 0.751 ' O ' HD12 ' A' ' 700' ' ' LEU . 83.3 mm-40 -98.41 -31.07 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.533 ' HG2' HD22 ' A' ' 668' ' ' LEU . 17.3 mtm180 -75.93 -46.77 28.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -71.19 -26.6 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.87 -42.09 97.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 700' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 696' ' ' GLN . 1.0 OUTLIER -97.01 39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -157.22 -46.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -122.49 173.5 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 60.59 -178.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -113.97 -66.21 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.522 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 126.74 16.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.7 141.23 45.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.758 0.313 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -47.61 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -150.1 95.4 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -36.96 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 6.9 p 59.05 113.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -105.99 86.87 2.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.36 157.0 60.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.19 160.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 9.9 t -134.56 -179.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 179.55 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.3 mt 63.91 133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.9 t -81.04 160.92 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.81 -31.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 658' ' ' ILE . 9.3 mm-40 -71.56 -36.93 71.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 659' ' ' LEU . . . -69.32 -41.19 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.77 93.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 654' ' ' GLU . 7.3 mt -70.67 -30.77 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 655' ' ' ALA . 4.8 mt -71.01 -41.57 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.92 -43.73 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.742 ' CE2' HG21 ' A' ' 666' ' ' VAL . 32.0 t80 -70.16 -35.67 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 15.0 mt -73.97 -32.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -82.66 -24.72 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.17 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.742 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.6 t -69.85 -69.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.397 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.42 35.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 4.3 mp -94.21 -23.32 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -106.56 84.68 1.52 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.083 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.69 -168.86 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.614 2.209 . . . . 0.0 112.191 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.22 172.91 9.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -31.79 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -74.99 -31.66 61.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.09 -44.12 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.12 -31.91 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -66.5 -43.15 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.4 m -71.46 -46.08 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.98 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -46.54 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -70.66 -45.13 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.04 -60.63 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 30.7 mt -70.02 -16.8 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.217 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.9 t0 67.61 32.65 5.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.27 147.16 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.5 171.78 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.497 2.131 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.08 -46.66 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.6 -31.52 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 19.4 m -65.02 -34.06 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -79.9 -36.99 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.43 -41.55 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.18 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.24 -47.18 58.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.16 -40.04 93.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.33 73.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -68.59 -28.95 67.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.54 -35.32 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.447 ' NH1' HD22 ' A' ' 668' ' ' LEU . 6.2 mmp_? -61.72 -37.71 85.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.749 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -79.98 -25.02 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.6 -29.71 52.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.47 30.94 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -141.72 -47.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -76.6 -49.75 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.56 127.01 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -72.54 -32.15 62.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 123.84 7.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 706' ' ' LEU . 1.4 pt? -60.72 141.56 56.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.903 0.383 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -90.8 179.21 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.21 89.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 -171.27 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 31.2 p -115.66 169.3 9.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -131.57 133.46 24.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.33 96.74 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.223 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -105.01 -77.47 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' THR . . . . . 0.545 HG21 ' OG1' ' A' ' 688' ' ' THR . 2.1 p -108.91 134.4 51.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.43 100.02 7.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.602 HG22 ' HB3' ' A' ' 655' ' ' ALA . 29.1 mt -95.35 136.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 61.8 m -80.5 167.8 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.04 -36.11 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.616 ' O ' HD23 ' A' ' 659' ' ' LEU . . . -71.76 -38.89 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.57 -37.62 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.25 90.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.42 -33.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 655' ' ' ALA . 3.4 mm? -64.92 -39.46 93.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -69.5 -36.01 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 23.5 m -70.43 -34.76 72.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 678' ' ' LEU . 21.5 t80 -63.68 -40.61 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.505 HG23 ' HG ' ' A' ' 668' ' ' LEU . 6.9 mt -72.98 -33.08 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.05 -28.64 62.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -95.63 -41.95 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 -68.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.12 -148.91 20.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 663' ' ' ILE . 1.4 mp -119.68 28.63 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -140.94 56.8 7.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -169.41 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.581 2.188 . . . . 0.0 112.384 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.66 169.65 9.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -56.58 -29.24 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.7 -38.39 73.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.56 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' ILE . . . . . 0.653 HG23 HG21 ' A' ' 689' ' ' ILE . 48.4 mt -69.78 -32.53 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.23 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.4 m -69.63 -45.21 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 662' ' ' PHE . 1.4 mp -65.92 -46.32 78.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.1 t -59.43 -32.2 69.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -85.21 -43.59 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.04 -33.99 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.461 ' HB3' HD12 ' A' ' 684' ' ' LEU . 5.6 mt -96.91 -10.65 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.67 31.94 16.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.817 0.341 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 682' ' ' LEU . 9.3 mt -113.58 142.73 28.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.29 177.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -83.03 -44.33 15.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -54.98 -23.33 18.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.545 ' OG1' HG21 ' A' ' 649' ' ' THR . 62.6 m -72.03 -38.28 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.941 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.653 HG21 HG23 ' A' ' 675' ' ' ILE . 33.0 mm -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.8 -34.14 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -70.5 -42.43 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.73 -49.32 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.04 -42.36 94.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.773 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.33 -39.81 89.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -67.95 -33.67 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -60.31 -33.48 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -59.78 -45.88 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.81 -39.65 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -65.49 -24.62 67.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 20.4 mt -95.89 38.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -170.19 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.84 -72.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -73.77 108.73 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -77.94 -68.76 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 96.69 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 17.6 tp -63.46 -48.79 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.849 0.356 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.25 123.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -88.95 170.16 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.7 146.59 25.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 40.8 p -90.78 132.16 36.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 63.3 88.34 0.12 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.11 99.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -71.88 140.13 49.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 15.0 m 60.96 81.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -107.43 131.62 54.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.426 HG22 ' HB3' ' A' ' 655' ' ' ALA . 27.1 mt -101.61 145.79 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.4 p -60.24 150.29 30.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.78 -34.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.86 -37.33 84.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.506 ' CB ' HD22 ' A' ' 682' ' ' LEU . . . -67.15 -41.27 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.76 -30.67 69.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -68.54 -51.45 31.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.19 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 692' ' ' PHE . 1.7 mp -69.07 -47.71 64.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.56 -31.63 70.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 49.0 m -76.47 -38.22 55.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -61.21 -33.19 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 668' ' ' LEU . 4.9 mt -80.49 -32.68 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.7 -22.48 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -96.6 -42.08 8.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 25.8 t -96.6 -70.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.97 -161.48 31.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 663' ' ' ILE . 0.1 OUTLIER -107.67 30.54 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.793 0.33 . . . . 0.0 110.975 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 669' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 28.6 m-85 -144.86 69.52 14.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 147.66 43.7 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -81.01 159.0 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.9 -39.79 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.86 -30.53 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -72.29 -33.15 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.96 -30.59 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -75.51 -36.39 60.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -36.75 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.9 OUTLIER -70.88 -30.9 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 14.4 t -67.89 -44.61 76.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.88 -52.92 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 655' ' ' ALA . 9.4 mt -76.26 -11.7 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.3 31.47 17.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.901 0.382 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 688' ' ' THR . 1.0 OUTLIER -119.88 147.21 43.71 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.502 ' HD2' HD23 ' A' ' 684' ' ' LEU . 36.9 Cg_endo -65.83 153.3 78.74 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.416 2.077 . . . . 0.0 112.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -55.61 -36.2 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.65 -27.41 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.554 HG21 HD22 ' A' ' 684' ' ' LEU . 3.2 m -82.74 -31.42 28.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.223 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 26.9 mt -81.42 -35.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.433 HG22 ' OE1' ' A' ' 694' ' ' GLN . 12.4 mt -70.1 -40.79 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.529 ' CE2' HD23 ' A' ' 659' ' ' LEU . 75.0 t80 -64.65 -54.82 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.4 -42.75 99.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 690' ' ' ILE . 25.3 mt-30 -64.79 -42.42 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.43 -37.81 84.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -64.48 -43.41 94.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 668' ' ' LEU . 10.2 mtm180 -59.95 -37.0 78.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -57.23 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -51.29 -26.96 8.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -28.99 45.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.21 29.23 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.056 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -158.67 64.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.972 0.415 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -91.7 50.89 1.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -89.67 100.29 2.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.77 39.84 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 50.2 mt -121.57 142.32 50.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.963 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.96 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 91.4 3.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.07 31.75 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 106.45 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.39 110.96 6.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.01 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.17 66.15 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.55 2.166 . . . . 0.0 112.202 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.02 137.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.4 154.34 34.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.35 40.03 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 32.9 mt -103.62 91.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 89.4 p -60.19 172.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.81 -37.62 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.6 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.33 85.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.51 -35.53 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.25 80.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.31 -32.37 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.43 -38.3 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 663' ' ' ILE . 55.0 mt-30 -59.18 -51.2 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.4 m -59.84 -31.05 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 12.2 t80 -69.94 -31.84 69.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 660' ' ' GLN . 6.4 mt -76.04 -32.88 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -31.16 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -74.45 -66.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 143.55 -147.11 18.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.1 mt -124.98 31.14 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -139.84 63.98 27.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.51 163.78 37.89 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.529 2.152 . . . . 0.0 112.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.51 171.39 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.41 -30.26 62.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.54 -29.36 64.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.71 -39.94 35.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.76 -40.08 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.5 -43.64 72.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 -31.27 63.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.473 ' HB3' HD13 ' A' ' 689' ' ' ILE . 14.9 mt -67.73 -40.05 84.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 679' ' ' SER . . . . . 0.531 ' HA ' HD11 ' A' ' 689' ' ' ILE . 54.7 p -64.97 -44.01 90.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.28 64.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -55.12 32.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.88 32.3 6.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' A' ' 684' ' ' LEU . 13.5 mt -119.73 148.72 46.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 174.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.612 2.208 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -80.06 -53.43 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -58.79 -31.06 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.3 m -61.2 -40.48 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 679' ' ' SER . 36.1 mt -75.3 -39.07 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.82 -51.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -59.33 -32.49 70.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -73.28 -59.0 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -59.81 -39.77 86.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.73 -33.73 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.98 -31.24 44.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -62.65 -33.45 75.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -59.98 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.21 -29.31 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.98 -30.49 66.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 2.6 mt -97.17 45.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.7 -63.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -59.78 -62.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.0 174.12 13.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -128.36 72.18 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 100.23 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.87 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 3.2 pttt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.919 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.822 0.344 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 16.3 mmt-85 63.83 135.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.3 -174.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.29 115.37 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.08 108.38 19.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.63 107.37 17.14 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.68 -22.94 43.05 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.338 2.026 . . . . 0.0 112.419 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -30.79 66.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 5.7 m -145.58 110.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.5 139.69 18.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.2 mt 63.09 143.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 9.6 m -68.6 146.7 52.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.38 -30.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.55 -32.66 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 659' ' ' LEU . . . -73.06 -37.48 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 656' ' ' LEU . 1.3 tm? -58.25 -57.98 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -53.28 -42.54 63.78 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.71 -40.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 692' ' ' PHE . 4.7 mp -60.77 -38.11 84.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.51 -44.2 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.0 m -60.32 -31.53 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 666' ' ' VAL . 43.8 t80 -67.33 -36.97 82.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 38.7 mt -73.42 -34.53 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -31.31 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -61.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 662' ' ' PHE . 21.5 t -79.07 -66.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.83 -159.12 23.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.46 HD22 ' HG2' ' A' ' 697' ' ' ARG . 2.4 mt -99.52 31.38 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -128.26 64.01 65.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 670' ' ' PRO . . . . . 0.423 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 59.0 Cg_endo -71.99 142.78 39.27 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.579 2.186 . . . . 0.0 112.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -101.92 172.12 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.42 -27.29 15.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -34.68 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -77.47 -33.16 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.3 mt -76.88 -23.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -88.53 -29.87 19.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 678' ' ' LEU . 5.8 t -76.91 -29.21 55.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 677' ' ' THR . 7.6 mp -81.77 -44.91 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -38.92 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -74.54 -46.38 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -66.29 -47.86 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 41.4 mt -80.11 -19.62 46.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.72 40.36 2.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.51 152.12 52.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.26 169.66 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.177 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.17 19.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 688' ' ' THR . 15.9 p90 -61.63 -31.45 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 1.6 m -63.38 -38.86 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.12 -38.55 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.7 mt -73.43 -30.45 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -78.68 -31.17 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 659' ' ' LEU . 53.6 t80 -69.75 -56.74 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 693' ' ' PHE . . . . . 0.423 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 36.9 m-85 -59.14 -32.92 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.62 -30.77 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.08 -45.73 90.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -66.02 -30.97 71.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.46 ' HG2' HD22 ' A' ' 668' ' ' LEU . 1.3 mmp_? -69.38 -30.9 68.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -90.53 -30.78 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.48 -30.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 4.3 mt -95.49 44.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 -59.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -87.16 -70.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -64.42 82.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -104.96 28.45 14.68 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -141.0 87.95 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.34 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.907 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 28.8 t30 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.807 0.337 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 95.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -116.71 142.39 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt 63.15 143.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 5.3 t -154.11 169.51 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 63.27 127.42 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 104.76 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.356 2.037 . . . . 0.0 112.257 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -77.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 3.0 m -105.61 -39.05 6.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.17 168.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.678 HG22 ' HB3' ' A' ' 655' ' ' ALA . 25.1 mt -135.53 127.98 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.55 160.73 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.16 -43.44 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -71.47 -33.07 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 659' ' ' LEU . 6.5 tp -75.02 -31.69 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.6 -37.17 89.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.456 ' HB ' HD21 ' A' ' 682' ' ' LEU . 26.6 mt -73.91 -35.85 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 656' ' ' LEU . 21.6 mt -62.7 -50.96 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.34 -43.51 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.6 m -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 30.5 t80 -72.44 -33.1 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.77 -30.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -79.49 -29.9 41.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.74 -53.33 3.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.684 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -86.72 -67.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 140.02 -146.33 17.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.62 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.519 HD23 ' HD1' ' A' ' 693' ' ' PHE . 0.8 OUTLIER -124.12 40.68 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -150.77 62.51 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.15 168.25 24.6 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 2.0 m-20 -109.42 -177.53 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -29.85 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -71.34 -57.5 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.244 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.14 -29.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.6 m -72.34 -43.66 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 662' ' ' PHE . 2.5 mp -60.07 -40.98 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -45.49 91.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.93 -53.66 50.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 658' ' ' ILE . 62.4 mt -69.98 -17.47 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.12 32.09 6.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -124.93 145.71 50.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 53.2 Cg_exo -52.31 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -83.9 -39.49 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 14.4 p90 -57.3 -30.39 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.668 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -67.71 -38.25 83.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 693' ' ' PHE . 23.0 mt -76.26 -37.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.61 -32.68 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.27 -29.64 34.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 659' ' ' LEU . 58.0 t80 -77.36 -36.11 53.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 693' ' ' PHE . . . . . 0.519 ' HD1' HD23 ' A' ' 668' ' ' LEU . 7.4 m-85 -79.16 -30.76 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.31 -40.82 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -68.78 -41.12 79.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 696' ' ' GLN . . . . . 0.407 ' O ' HD13 ' A' ' 700' ' ' LEU . 28.9 mm-40 -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 668' ' ' LEU . 0.0 OUTLIER -82.37 -48.32 11.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.81 -27.96 67.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.87 -27.8 53.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 700' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 696' ' ' GLN . 10.6 mp -82.21 -35.79 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.031 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.54 30.08 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -113.64 -34.25 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -120.94 -176.92 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -99.16 132.98 11.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt 60.6 169.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 1.8 mt -103.49 158.16 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.25 106.18 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 60.8 -175.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -177.27 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.4 m -152.01 108.96 3.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.231 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 63.12 133.53 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.48 -170.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.497 2.131 . . . . 0.0 112.226 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 90.66 7.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 18.8 p -147.45 126.54 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -105.32 58.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.647 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.0 mt -92.72 149.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -108.13 174.15 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.01 -30.75 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 658' ' ' ILE . 1.4 tt0 -66.02 -38.83 89.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.647 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -66.46 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -57.12 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -54.59 -46.79 73.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.676 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 654' ' ' GLU . 16.7 mt -65.64 -35.31 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.07 -31.84 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.31 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.5 m -62.15 -37.28 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 678' ' ' LEU . 27.2 t80 -60.24 -43.85 95.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.747 HG23 ' HG ' ' A' ' 668' ' ' LEU . 39.4 mt -74.48 -30.26 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -81.26 -28.2 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.56 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 662' ' ' PHE . 28.0 t -69.99 -68.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.68 30.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 663' ' ' ILE . 0.4 OUTLIER -108.02 26.12 10.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 669' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 15.0 m-85 -137.06 73.91 50.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' PRO . . . . . 0.43 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 60.7 Cg_endo -72.75 162.43 41.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.16 . . . . 0.0 112.405 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -109.07 178.12 4.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.32 -36.03 76.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.0 -31.16 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -64.79 -39.46 93.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.92 -38.46 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.4 m -80.45 -30.83 37.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 674' ' ' ALA . 1.5 mt -76.68 -31.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -50.7 47.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.56 94.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.48 -56.05 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.08 -20.57 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.11 31.85 8.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.4 mt -116.16 149.53 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.8 157.41 2.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.5 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.2 p90 -60.28 -35.61 75.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.445 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 13.9 m -60.72 -35.93 77.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 689' ' ' ILE . . . . . 0.476 HG22 ' HD2' ' A' ' 693' ' ' PHE . 37.3 mt -73.47 -36.75 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.95 -42.94 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -65.02 -36.45 84.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.2 -58.8 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.803 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 693' ' ' PHE . . . . . 0.476 ' HD2' HG22 ' A' ' 689' ' ' ILE . 21.3 m-85 -56.22 -30.72 62.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -70.81 -32.73 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.95 -2.75 58.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.215 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.0 -20.82 26.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -88.45 -51.61 5.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.132 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 699' ' ' TYR . 0.1 OUTLIER -56.51 -22.84 35.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.156 -179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 699' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 698' ' ' TYR . 51.3 t80 -64.23 -35.08 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.79 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.99 41.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -164.4 -65.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -69.5 -31.14 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -117.27 79.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -60.47 -31.07 73.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.2 118.74 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.757 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 706' ' ' LEU . 0.2 OUTLIER -65.18 -45.67 83.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.794 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.818 0.342 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -99.15 32.95 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.33 39.62 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -73.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.39 72.66 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -121.46 96.05 47.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' PRO . . . . . 0.423 ' HD2' HG22 ' A' ' 653' ' ' VAL . 42.2 Cg_endo -67.57 -177.14 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.353 2.036 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 649' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 650' ' ' LYS . 0.2 OUTLIER -146.48 -175.04 4.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.114 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 650' ' ' LYS . . . . . 0.457 ' H ' HG22 ' A' ' 649' ' ' THR . 7.6 mttm 63.43 117.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 655' ' ' ALA . 31.2 mt 63.79 125.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 17.7 t -67.81 162.92 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' VAL . . . . . 0.423 HG22 ' HD2' ' A' ' 647' ' ' PRO . 31.7 t -58.12 -44.19 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.42 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -67.47 -34.51 77.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.25 -36.74 82.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.36 95.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.3 mt -71.04 -41.78 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 692' ' ' PHE . 7.6 mp -64.87 -39.74 94.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 663' ' ' ILE . 9.1 mm100 -59.1 -43.65 91.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.4 m -61.46 -37.59 84.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.4 -35.22 78.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' ILE . . . . . 0.614 HG23 ' CD1' ' A' ' 668' ' ' LEU . 37.0 mt -70.21 -30.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.59 -30.45 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -67.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.42 -67.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.82 -154.16 25.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 663' ' ' ILE . 3.3 mm? -104.29 31.29 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -140.15 74.43 30.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.91 135.97 34.0 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.238 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.31 -179.63 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.46 -50.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.04 74.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.49 -42.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.88 -52.91 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 15.7 m -59.53 -47.53 85.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.45 -41.17 98.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 6.3 t -73.82 -29.99 62.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -81.15 -54.08 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.62 -30.67 67.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 659' ' ' LEU . 95.9 mt -95.23 -16.98 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.292 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.29 31.84 12.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.4 OUTLIER -114.21 153.06 46.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.726 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 684' ' ' LEU . 71.6 Cg_exo -48.64 162.75 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.545 2.163 . . . . 0.0 112.543 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -75.76 -45.95 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.7 p90 -58.88 -31.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 688' ' ' THR . . . . . 0.462 HG21 HD22 ' A' ' 684' ' ' LEU . 11.6 m -64.0 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.17 -45.68 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.09 -35.74 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -69.17 -36.94 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.781 ' CD2' HD23 ' A' ' 659' ' ' LEU . 44.1 t80 -67.23 -49.63 63.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -63.94 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -80.67 -49.61 10.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -58.36 -30.25 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.57 -51.59 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.006 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -41.02 91.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 698' ' ' TYR . . . . . 0.475 ' CE2' ' CE1' ' A' ' 702' ' ' HIS . 0.1 OUTLIER -62.73 -58.99 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -49.43 -27.83 4.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.35 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.07 -23.53 41.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.225 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -130.81 40.41 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 111.179 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' HIS . . . . . 0.475 ' CE1' ' CE2' ' A' ' 698' ' ' TYR . 21.9 m-70 -150.24 177.78 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 703' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' A' ' 702' ' ' HIS . 32.3 p80 46.05 -170.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.348 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -139.65 -68.26 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -110.17 39.15 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.67 132.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.834 0.349 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.3 m -71.02 165.54 23.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.75 -44.17 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.511 ' OE2' HD11 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -65.97 -31.69 72.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.461 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -75.22 -36.61 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.92 -42.12 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.63 -42.07 99.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.511 HD11 ' OE2' ' A' ' 654' ' ' GLU . 22.0 mt -76.28 -35.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.27 -46.41 77.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.51 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -64.34 -32.29 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -37.88 84.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 35.3 mt -73.18 -41.08 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.45 -57.23 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 28.5 t -83.45 -67.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.68 -154.0 25.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 3.0 mp -114.85 51.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -152.62 69.9 7.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 165.87 31.56 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 4.7 m-20 -119.05 177.37 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.01 -39.54 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.06 -30.78 62.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.52 -42.24 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 38.0 mt -71.49 -42.57 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.1 m -77.06 -47.52 20.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 674' ' ' ALA . 11.0 mt -63.85 -41.28 97.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 55.3 p -61.95 -37.88 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -80.26 -32.04 38.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.24 -51.34 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.461 HD23 ' HB1' ' A' ' 655' ' ' ALA . 2.9 mp -75.17 -13.2 60.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.23 37.94 3.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -125.77 148.81 63.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -179.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.606 2.204 . . . . 0.0 112.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -87.09 -42.21 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -60.2 -32.84 71.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.5 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -60.16 -32.03 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.03 -41.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 35.4 mt -64.84 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -70.08 -38.81 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.33 -58.62 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.15 -42.23 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.22 -43.73 92.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.68 -49.69 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -29.68 70.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.533 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 21.7 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 171.59 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.28 -30.69 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.53 -42.84 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -71.39 -39.67 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 692' ' ' PHE . 6.3 tp -67.03 -38.56 86.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.77 97.54 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.87 -38.19 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.356 . . . . 0.0 110.998 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.437 ' HG ' HD11 ' A' ' 682' ' ' LEU . 52.1 mt -67.09 -40.44 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.664 ' HA ' HD12 ' A' ' 663' ' ' ILE . 3.4 mt-30 -59.18 -39.5 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -64.15 -36.29 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.857 ' CE1' HG21 ' A' ' 666' ' ' VAL . 44.3 t80 -68.01 -31.95 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 660' ' ' GLN . 15.8 mt -75.1 -30.27 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -81.11 -27.64 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -64.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.857 HG21 ' CE1' ' A' ' 662' ' ' PHE . 22.6 t -69.9 -68.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 160.87 -104.14 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.487 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.2 mt -137.46 -67.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.625 0.25 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.32 112.12 11.7 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.89 -169.11 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.578 2.186 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 40.4 t0 -125.84 160.6 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -52.87 -28.19 21.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.54 -28.98 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -78.62 -41.57 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.214 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 689' ' ' ILE . 45.5 mt -65.29 -46.25 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.9 -43.37 94.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.3 m -72.05 -42.86 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.71 -31.15 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.9 m -62.64 -51.01 68.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.57 -44.37 90.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -61.42 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 655' ' ' ALA . 94.7 mt -71.11 -16.35 62.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 66.4 32.11 7.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 42.2 mt -116.94 143.54 31.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.95 172.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 690' ' ' ILE . 18.2 p90 -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.42 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.533 HD12 HG23 ' A' ' 675' ' ' ILE . 44.7 mt -70.99 -37.73 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 687' ' ' TYR . 14.2 mt -70.51 -30.7 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -81.32 -29.28 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' A' ' 656' ' ' LEU . 89.0 t80 -79.23 -47.32 16.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.9 -30.68 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.69 -47.61 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.3 -29.41 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.96 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.681 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 28.1 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 2.6 t -87.03 166.13 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.0 t -60.4 -29.98 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.05 -44.06 91.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.681 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -65.4 -37.1 85.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.91 -41.94 97.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.55 -52.94 50.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.385 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.73 -39.71 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.11 -42.33 99.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 663' ' ' ILE . 11.9 mt-30 -58.88 -44.14 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.8 m -59.47 -31.58 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 53.7 t80 -72.63 -30.25 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 667' ' ' GLY . 21.4 mt -77.59 -33.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -75.16 -31.19 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.16 -65.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.3 t -69.93 -57.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . 0.727 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 133.67 -107.73 0.7 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.49 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 696' ' ' GLN . 0.5 OUTLIER -164.71 31.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -143.33 57.12 5.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.68 178.1 6.12 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.609 2.206 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.84 173.6 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.774 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -57.51 -29.58 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.92 -31.72 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.44 60.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.4 -32.28 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.0 -40.07 87.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 3.3 m -72.8 -33.84 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.91 -31.18 61.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . 0.46 ' HA ' HD11 ' A' ' 689' ' ' ILE . 10.8 t -68.2 -44.54 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.2 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -61.22 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.13 -10.59 59.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.367 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.58 30.84 10.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 24.2 mt -114.45 143.05 29.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.15 -176.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.527 2.152 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . 0.511 ' HB3' HD11 ' A' ' 690' ' ' ILE . 2.3 mptp? -84.62 -48.38 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 688' ' ' THR . 14.6 p90 -48.14 -32.54 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.419 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 42.6 m -71.75 -45.99 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.989 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 679' ' ' SER . 33.6 mt -69.7 -36.55 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 686' ' ' LYS . 13.4 mt -69.93 -49.84 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -60.75 -37.71 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -65.29 -56.56 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.88 -31.08 71.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -44.45 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.26 -32.19 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 668' ' ' LEU . 52.5 mm-40 -70.6 -34.97 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.25 171.38 9.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.8 -32.0 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.21 -46.19 84.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.42 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.44 -36.68 84.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.12 71.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.85 -42.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.39 -34.34 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.718 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.43 -41.34 93.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.1 m -63.61 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.408 ' CE2' HG21 ' A' ' 666' ' ' VAL . 24.0 t80 -60.18 -37.29 79.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 667' ' ' GLY . 22.4 mt -72.19 -32.31 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.83 -28.05 28.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.52 -67.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 662' ' ' PHE . 33.2 t -69.98 -69.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 169.52 -95.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.21 -57.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.94 112.17 11.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.78 150.62 14.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.475 2.117 . . . . 0.0 112.372 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.65 161.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.78 -36.76 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.01 -29.28 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.434 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -74.31 -37.42 63.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.3 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.54 -33.88 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -56.28 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.791 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -46.78 88.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 674' ' ' ALA . 21.2 mt -60.84 -40.45 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.6 m -63.57 -57.78 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.12 78.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -58.32 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.58 -11.23 60.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.37 31.39 15.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 110.747 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 29.2 mt -119.84 144.78 38.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.575 2.183 . . . . 0.0 112.212 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -96.22 -39.4 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.421 ' HA ' HD12 ' A' ' 690' ' ' ILE . 16.9 p90 -57.17 -31.08 65.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 34.2 m -72.83 -36.03 67.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.69 -35.14 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.4 mt -72.98 -37.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -66.99 -32.42 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -64.31 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -59.02 -29.12 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -78.39 -28.75 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -79.97 -27.03 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -80.3 -31.36 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.179 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 688' ' ' THR . 18.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.793 0.33 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 4.2 m -59.29 178.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.91 -30.8 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.02 -42.26 94.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.07 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 58.5 tp -68.21 -31.03 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.14 30.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 35.2 mt -69.91 -43.7 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.35 -38.77 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.85 -43.78 94.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.5 m -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 678' ' ' LEU . 18.5 t80 -69.01 -31.01 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.98 -49.27 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -68.5 -30.07 68.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.34 -66.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.5 t -80.45 -67.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 152.79 -155.12 25.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.1 33.05 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -155.87 72.79 5.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . 0.425 ' HG3' ' CE2' ' A' ' 693' ' ' PHE . 60.5 Cg_endo -72.7 161.83 42.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.586 2.19 . . . . 0.0 112.267 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.93 168.66 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.73 -40.61 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -30.33 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.49 -43.4 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.36 -30.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.73 -41.87 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.2 m -71.13 -33.37 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 662' ' ' PHE . 0.2 OUTLIER -68.75 -39.37 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 84.0 p -68.55 -40.17 80.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.37 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.78 -14.89 63.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.359 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 65.82 32.82 8.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.19 150.19 43.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.68 177.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.525 2.15 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.85 -45.89 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.0 -31.44 68.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 651' ' ' ILE . 31.5 m -67.34 -33.94 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.3 mt -71.83 -27.0 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.48 -50.12 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.6 -43.03 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -62.38 -53.37 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 670' ' ' PRO . 4.0 m-85 -59.25 -47.06 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.82 -40.05 96.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -75.51 -27.79 58.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -56.7 -30.81 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 684' ' ' LEU . 33.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 11.7 p -59.36 151.33 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 27.6 t -59.63 -41.65 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -36.14 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.57 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -65.71 -39.2 90.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 656' ' ' LEU . 10.4 tp -63.23 -39.73 95.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.49 98.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.01 -35.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 692' ' ' PHE . 8.0 tp -71.59 -38.29 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.2 m -58.04 -42.09 84.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.463 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 11.0 t80 -59.14 -53.61 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.717 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 692' ' ' PHE . 74.2 mt -51.23 -26.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.59 -21.12 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.77 -82.49 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.633 0.254 . . . . 0.0 111.533 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 11.8 t -104.92 -28.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 0.0 111.47 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . 0.463 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.46 106.09 0.14 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.057 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 669' ' ' TYR . 2.6 mt 175.21 -37.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.378 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 668' ' ' LEU . 22.2 m-85 -140.84 56.86 7.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 40.1 Cg_endo -67.51 151.43 79.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.543 2.162 . . . . 0.0 112.319 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -109.48 -177.07 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -54.87 -28.85 53.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.76 -32.07 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -79.79 -39.65 30.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.56 -44.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -65.71 -42.76 90.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 m -70.44 -55.5 8.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 678' ' ' LEU . 37.4 mt -59.44 -31.12 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . 0.637 ' HA ' HD11 ' A' ' 689' ' ' ILE . 13.4 t -59.71 -54.35 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.72 54.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -34.33 75.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.31 1.61 33.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 59.17 31.04 20.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 651' ' ' ILE . 17.9 mt -119.01 148.42 44.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 -176.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.572 2.181 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -56.13 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 690' ' ' ILE . 31.5 p90 -58.23 -29.88 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.465 HG21 HD22 ' A' ' 684' ' ' LEU . 20.8 m -59.04 -36.59 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 679' ' ' SER . 30.8 mt -81.69 -30.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 687' ' ' TYR . 42.5 mt -69.5 -37.0 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.93 57.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.54 ' CZ ' HD23 ' A' ' 659' ' ' LEU . 16.4 t80 -66.19 -55.13 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . 0.453 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 28.5 m-85 -60.24 -35.91 76.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -32.36 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.35 -37.63 83.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.808 HG23 HD11 ' A' ' 684' ' ' LEU . 24.2 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 37.0 p -59.1 158.53 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.56 -29.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.37 -44.04 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.991 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -67.93 -35.09 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 656' ' ' LEU . 0.3 OUTLIER -59.88 -55.67 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.38 50.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.715 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 51.5 mt -69.47 -40.07 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.62 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -69.87 -32.91 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 16.9 m -70.23 -32.52 70.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 666' ' ' VAL . 53.0 t80 -68.21 -37.59 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.87 -42.57 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.49 -28.56 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.31 -63.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.501 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.9 t -75.49 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 141.44 -134.97 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.612 HD23 ' HG2' ' A' ' 697' ' ' ARG . 5.0 mp -124.86 31.37 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -137.12 65.75 51.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.49 164.73 34.76 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.42 178.36 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.5 66.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.72 -37.12 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.26 -32.08 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -43.5 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -66.07 -36.29 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.8 mp -75.29 -37.73 60.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 18.0 t -58.88 -31.58 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -87.75 -34.11 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.38 -35.14 58.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.991 HD23 ' HB1' ' A' ' 655' ' ' ALA . 3.4 mp -93.77 -13.63 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.27 40.34 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 651' ' ' ILE . 17.7 mt -127.8 148.4 66.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 174.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.497 2.131 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.28 -45.85 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.59 -31.53 68.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 1.3 m -59.28 -41.69 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.63 -34.95 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 52.6 mt -67.74 -30.49 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -82.04 -31.5 30.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.02 -48.78 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.33 -46.1 81.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.48 -38.17 83.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -72.03 -31.65 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -63.72 -39.26 93.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.612 ' HG2' HD23 ' A' ' 668' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.644 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.6 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.883 0.373 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.1 m -74.39 168.54 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.14 -30.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -60.41 -49.42 77.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.766 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.644 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.43 -40.65 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.56 -54.88 34.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.423 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 654' ' ' GLU . 6.2 mt -65.17 -30.74 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 682' ' ' LEU . 0.5 OUTLIER -60.85 -50.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.2 -35.05 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -49.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.49 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 16.0 t80 -67.54 -53.43 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.722 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 659' ' ' LEU . 16.1 mt -50.84 -26.72 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -86.62 -21.49 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.17 -77.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 111.245 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 15.6 t -114.98 -27.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . 0.49 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.92 111.82 0.93 Allowed Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.222 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 2.0 mt 177.65 -40.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.234 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 17.8 m-85 -145.11 58.82 5.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.719 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.73 149.93 78.93 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.568 2.179 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.99 -176.31 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.31 -31.33 65.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -32.9 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.472 ' O ' HD23 ' A' ' 678' ' ' LEU . . . -70.16 -40.77 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 689' ' ' ILE . 31.3 mt -72.24 -30.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -66.58 -44.5 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -73.72 -41.05 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 674' ' ' ALA . 2.7 mm? -58.75 -45.95 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.7 m -61.31 -52.19 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.36 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -54.25 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.643 HD13 HD21 ' A' ' 659' ' ' LEU . 0.7 OUTLIER -86.78 5.04 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.391 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.46 29.67 15.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.871 0.367 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.89 144.59 29.94 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.002 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 50.6 Cg_exo -53.18 -176.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.571 2.181 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -87.93 -34.74 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 17.1 p90 -64.63 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 24.1 m -69.44 -34.64 74.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 675' ' ' ILE . 30.8 mm -71.93 -29.31 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.58 -33.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -81.94 -35.7 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 659' ' ' LEU . 38.2 t80 -69.9 -53.63 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.89 -41.31 86.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.77 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -60.58 -29.49 69.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -57.28 -32.3 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 684' ' ' LEU . 34.3 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 75.2 m -59.92 147.94 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.54 -35.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -40.66 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -67.32 -44.95 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.4 -35.69 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.22 -45.26 56.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.4 -33.76 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -53.03 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.9 m -65.16 -36.3 83.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.29 -37.64 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.19 -31.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -31.22 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.96 -43.09 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.66 -67.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 148.6 -161.75 28.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.96 31.65 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -142.94 70.73 18.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.29 -175.28 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.558 2.172 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.36 166.28 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -47.03 86.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.74 -30.74 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.531 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -61.5 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.55 -33.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.78 -41.5 87.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.7 m -76.08 -35.63 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 674' ' ' ALA . 2.3 mt -69.65 -35.89 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.4 m -65.46 -42.21 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.99 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -79.82 -55.2 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' A' ' 655' ' ' ALA . 43.2 mt -71.94 -13.85 61.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.251 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 64.8 31.65 11.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 651' ' ' ILE . 19.5 mt -115.4 145.73 35.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 169.46 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.461 2.107 . . . . 0.0 112.209 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -52.67 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -59.22 -32.71 70.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 28.4 m -59.28 -34.73 72.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.5 mt -79.57 -32.48 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.99 -38.44 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.17 -31.03 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.95 -42.6 48.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -50.53 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.809 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.24 -28.0 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.5 -58.22 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.462 HG22 ' HB3' ' A' ' 655' ' ' ALA . 22.1 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 3.5 m -66.05 154.96 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.65 -28.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 658' ' ' ILE . 46.1 mm-40 -57.52 -47.74 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -70.38 -40.02 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.42 -39.06 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.33 -59.1 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 654' ' ' GLU . 3.7 mt -60.5 -31.18 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 692' ' ' PHE . 1.1 mp -62.29 -46.28 89.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.47 -34.75 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -63.09 -41.06 99.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.56 -36.97 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 26.1 mt -75.22 -31.37 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.99 -29.48 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.57 -36.67 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.32 -68.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 147.65 -156.33 26.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 668' ' ' LEU . 0.8 OUTLIER -103.67 36.45 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -138.17 67.79 47.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -175.52 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . 0.543 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 3.5 t70 -140.36 175.08 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -57.54 -37.95 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -29.56 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.543 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -74.96 -50.63 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.538 HG22 ' HG3' ' A' ' 686' ' ' LYS . 43.3 mt -63.57 -34.07 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -46.48 86.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.6 m -75.79 -31.06 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.3 OUTLIER -70.06 -40.29 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -42.3 97.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -68.99 -50.5 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.42 -32.23 73.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 655' ' ' ALA . 61.6 mt -89.85 -19.28 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.35 30.97 15.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.818 0.342 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 685' ' ' PRO . 11.8 mt -127.98 147.79 64.63 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 684' ' ' LEU . 5.3 Cg_endo -47.98 166.3 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.828 2.352 . . . . 0.0 112.282 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.84 -37.62 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.566 ' HA ' HD12 ' A' ' 690' ' ' ILE . 8.7 p90 -57.62 -21.72 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.287 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 m -78.08 -40.93 36.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.58 -34.32 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.1 mt -71.24 -42.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -63.6 -31.52 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.698 ' CD2' HD23 ' A' ' 659' ' ' LEU . 84.6 t80 -76.59 -42.52 42.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.71 -31.49 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -78.96 -31.51 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.12 -29.34 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.19 -38.87 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.636 HD11 ' CG2' ' A' ' 688' ' ' THR . 3.2 mt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 169.72 17.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.62 -33.75 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.44 -44.19 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.539 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.27 -44.95 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.1 96.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.53 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.05 -34.52 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.031 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.709 HD23 ' CE2' ' A' ' 692' ' ' PHE . 6.4 tp -65.84 -42.72 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 663' ' ' ILE . 25.5 mm100 -59.89 -38.16 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -66.33 -32.69 74.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 660' ' ' GLN . 18.8 mt -76.72 -30.73 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -31.0 53.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.31 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 137.22 -155.19 22.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.6 mp -103.76 31.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -138.47 73.94 41.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.95 139.17 35.54 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.74 174.08 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.17 -39.31 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -30.67 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.45 96.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.53 -31.24 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.88 -39.55 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.3 m -77.31 -48.15 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.28 -31.99 70.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 88.3 p -68.22 -45.99 71.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -58.07 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 659' ' ' LEU . 48.2 mt -71.51 -14.23 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 15.9 t0 70.44 34.73 2.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 684' ' ' LEU . 3.4 mm? -122.09 140.61 32.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.39 179.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -44.31 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.15 -31.14 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 651' ' ' ILE . 27.8 m -58.87 -37.01 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.99 -42.51 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.32 -48.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.41 -43.4 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.709 ' CE2' HD23 ' A' ' 659' ' ' LEU . 68.0 t80 -68.52 -55.49 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -58.4 -30.35 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.19 -48.74 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.42 -30.22 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.93 -39.38 85.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.512 ' HG2' HD22 ' A' ' 668' ' ' LEU . 37.2 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 655' ' ' ALA . 30.5 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.54 156.08 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.39 -37.03 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -44.73 96.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.791 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -68.25 -34.7 76.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -38.65 85.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.46 97.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.545 HD12 HD21 ' A' ' 682' ' ' LEU . 48.1 mt -68.17 -39.08 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.21 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.43 -42.86 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -33.71 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.55 -51.7 68.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.6 pt -70.45 -25.0 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -81.86 -32.23 31.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -100.99 -63.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 36.3 t -70.9 -48.61 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 117.65 -169.91 13.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.533 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.8 mp -100.96 31.69 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -123.57 62.2 23.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 172.53 13.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 1.8 t0 -129.23 175.8 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.04 -51.26 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.02 -29.7 70.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.549 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -67.79 -51.91 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.59 -30.08 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.12 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.7 m -84.17 -32.27 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.7 OUTLIER -71.1 -33.56 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.0 p -72.92 -50.14 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.71 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -62.76 -63.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.545 HD21 HD12 ' A' ' 658' ' ' ILE . 42.2 mt -70.01 -13.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.14 66.1 0.65 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.492 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -151.1 151.33 29.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.492 ' HD2' HD23 ' A' ' 684' ' ' LEU . 77.7 Cg_exo -50.23 152.05 8.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -66.8 -45.41 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 688' ' ' THR . 9.2 p90 -57.85 -27.46 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 25.2 m -58.28 -45.95 86.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.14 -37.55 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.75 -37.65 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -72.56 -30.67 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.5 -58.31 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -58.66 -30.37 67.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -82.04 -29.97 31.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -83.0 -15.24 51.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.353 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -98.41 -31.07 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.533 ' HG2' HD22 ' A' ' 668' ' ' LEU . 17.3 mtm180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.79 0.329 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.9 t -81.04 160.92 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.81 -31.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 658' ' ' ILE . 9.3 mm-40 -71.56 -36.93 71.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 659' ' ' LEU . . . -69.32 -41.19 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.77 93.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 654' ' ' GLU . 7.3 mt -70.67 -30.77 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 655' ' ' ALA . 4.8 mt -71.01 -41.57 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.92 -43.73 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.742 ' CE2' HG21 ' A' ' 666' ' ' VAL . 32.0 t80 -70.16 -35.67 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 15.0 mt -73.97 -32.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -82.66 -24.72 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.17 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.742 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.6 t -69.85 -69.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.397 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.42 35.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 4.3 mp -94.21 -23.32 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -106.56 84.68 1.52 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.083 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.69 -168.86 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.614 2.209 . . . . 0.0 112.191 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.22 172.91 9.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -31.79 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -74.99 -31.66 61.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.09 -44.12 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.12 -31.91 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -66.5 -43.15 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.4 m -71.46 -46.08 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.98 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -46.54 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -70.66 -45.13 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.04 -60.63 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 30.7 mt -70.02 -16.8 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.217 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.9 t0 67.61 32.65 5.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.27 147.16 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.5 171.78 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.497 2.131 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.08 -46.66 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.6 -31.52 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 19.4 m -65.02 -34.06 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -79.9 -36.99 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.43 -41.55 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.18 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.24 -47.18 58.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.16 -40.04 93.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.33 73.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.59 -28.95 67.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.54 -35.32 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.447 ' NH1' HD22 ' A' ' 668' ' ' LEU . 6.2 mmp_? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.749 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.602 HG22 ' HB3' ' A' ' 655' ' ' ALA . 29.1 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.825 0.345 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 61.8 m -80.5 167.8 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.04 -36.11 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.616 ' O ' HD23 ' A' ' 659' ' ' LEU . . . -71.76 -38.89 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.57 -37.62 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.25 90.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.42 -33.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 655' ' ' ALA . 3.4 mm? -64.92 -39.46 93.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -69.5 -36.01 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 23.5 m -70.43 -34.76 72.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 678' ' ' LEU . 21.5 t80 -63.68 -40.61 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.505 HG23 ' HG ' ' A' ' 668' ' ' LEU . 6.9 mt -72.98 -33.08 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.05 -28.64 62.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -95.63 -41.95 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 -68.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.12 -148.91 20.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 663' ' ' ILE . 1.4 mp -119.68 28.63 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -140.94 56.8 7.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -169.41 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.581 2.188 . . . . 0.0 112.384 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.66 169.65 9.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -56.58 -29.24 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.7 -38.39 73.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.56 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . 0.653 HG23 HG21 ' A' ' 689' ' ' ILE . 48.4 mt -69.78 -32.53 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.23 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.4 m -69.63 -45.21 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 662' ' ' PHE . 1.4 mp -65.92 -46.32 78.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.1 t -59.43 -32.2 69.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -85.21 -43.59 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.04 -33.99 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.461 ' HB3' HD12 ' A' ' 684' ' ' LEU . 5.6 mt -96.91 -10.65 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.67 31.94 16.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.817 0.341 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 682' ' ' LEU . 9.3 mt -113.58 142.73 28.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.29 177.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -83.03 -44.33 15.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -54.98 -23.33 18.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 62.6 m -72.03 -38.28 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.941 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.653 HG21 HG23 ' A' ' 675' ' ' ILE . 33.0 mm -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.8 -34.14 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -70.5 -42.43 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.73 -49.32 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.04 -42.36 94.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.773 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.33 -39.81 89.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.95 -33.67 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -60.31 -33.48 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.426 HG22 ' HB3' ' A' ' 655' ' ' ALA . 27.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.4 p -60.24 150.29 30.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.78 -34.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.86 -37.33 84.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.506 ' CB ' HD22 ' A' ' 682' ' ' LEU . . . -67.15 -41.27 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.76 -30.67 69.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -68.54 -51.45 31.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.19 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 692' ' ' PHE . 1.7 mp -69.07 -47.71 64.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.56 -31.63 70.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 49.0 m -76.47 -38.22 55.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -61.21 -33.19 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 668' ' ' LEU . 4.9 mt -80.49 -32.68 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.7 -22.48 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -96.6 -42.08 8.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 25.8 t -96.6 -70.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.97 -161.48 31.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 663' ' ' ILE . 0.1 OUTLIER -107.67 30.54 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.793 0.33 . . . . 0.0 110.975 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 28.6 m-85 -144.86 69.52 14.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 147.66 43.7 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -81.01 159.0 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.9 -39.79 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.86 -30.53 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -72.29 -33.15 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.96 -30.59 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -75.51 -36.39 60.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -36.75 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.9 OUTLIER -70.88 -30.9 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 14.4 t -67.89 -44.61 76.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.88 -52.92 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 655' ' ' ALA . 9.4 mt -76.26 -11.7 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.3 31.47 17.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.901 0.382 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 688' ' ' THR . 1.0 OUTLIER -119.88 147.21 43.71 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.502 ' HD2' HD23 ' A' ' 684' ' ' LEU . 36.9 Cg_endo -65.83 153.3 78.74 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.416 2.077 . . . . 0.0 112.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -55.61 -36.2 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.65 -27.41 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.554 HG21 HD22 ' A' ' 684' ' ' LEU . 3.2 m -82.74 -31.42 28.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.223 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 26.9 mt -81.42 -35.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . 0.433 HG22 ' OE1' ' A' ' 694' ' ' GLN . 12.4 mt -70.1 -40.79 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.529 ' CE2' HD23 ' A' ' 659' ' ' LEU . 75.0 t80 -64.65 -54.82 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.4 -42.75 99.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 690' ' ' ILE . 25.3 mt-30 -64.79 -42.42 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.43 -37.81 84.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -64.48 -43.41 94.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 668' ' ' LEU . 10.2 mtm180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 89.4 p -60.19 172.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.81 -37.62 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.6 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.33 85.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.51 -35.53 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.25 80.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.31 -32.37 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.43 -38.3 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 663' ' ' ILE . 55.0 mt-30 -59.18 -51.2 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.4 m -59.84 -31.05 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 12.2 t80 -69.94 -31.84 69.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 660' ' ' GLN . 6.4 mt -76.04 -32.88 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -31.16 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -74.45 -66.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 143.55 -147.11 18.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.1 mt -124.98 31.14 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -139.84 63.98 27.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.51 163.78 37.89 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.529 2.152 . . . . 0.0 112.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.51 171.39 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.41 -30.26 62.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.54 -29.36 64.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.71 -39.94 35.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.76 -40.08 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.5 -43.64 72.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 -31.27 63.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.473 ' HB3' HD13 ' A' ' 689' ' ' ILE . 14.9 mt -67.73 -40.05 84.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . 0.531 ' HA ' HD11 ' A' ' 689' ' ' ILE . 54.7 p -64.97 -44.01 90.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.28 64.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -55.12 32.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.88 32.3 6.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 684' ' ' LEU . 13.5 mt -119.73 148.72 46.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 174.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.612 2.208 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -80.06 -53.43 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -58.79 -31.06 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.3 m -61.2 -40.48 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 679' ' ' SER . 36.1 mt -75.3 -39.07 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.82 -51.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -59.33 -32.49 70.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -73.28 -59.0 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -59.81 -39.77 86.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.73 -33.73 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.98 -31.24 44.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -62.65 -33.45 75.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.878 0.37 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 9.6 m -68.6 146.7 52.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.38 -30.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.55 -32.66 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 659' ' ' LEU . . . -73.06 -37.48 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 656' ' ' LEU . 1.3 tm? -58.25 -57.98 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -53.28 -42.54 63.78 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.71 -40.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 692' ' ' PHE . 4.7 mp -60.77 -38.11 84.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.51 -44.2 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.0 m -60.32 -31.53 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 666' ' ' VAL . 43.8 t80 -67.33 -36.97 82.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 38.7 mt -73.42 -34.53 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -31.31 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -61.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 662' ' ' PHE . 21.5 t -79.07 -66.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.83 -159.12 23.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.46 HD22 ' HG2' ' A' ' 697' ' ' ARG . 2.4 mt -99.52 31.38 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -128.26 64.01 65.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . 0.423 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 59.0 Cg_endo -71.99 142.78 39.27 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.579 2.186 . . . . 0.0 112.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -101.92 172.12 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.42 -27.29 15.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -34.68 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -77.47 -33.16 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.3 mt -76.88 -23.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -88.53 -29.87 19.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 678' ' ' LEU . 5.8 t -76.91 -29.21 55.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 677' ' ' THR . 7.6 mp -81.77 -44.91 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -38.92 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -74.54 -46.38 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -66.29 -47.86 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 41.4 mt -80.11 -19.62 46.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.72 40.36 2.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.51 152.12 52.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.26 169.66 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.177 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.17 19.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 688' ' ' THR . 15.9 p90 -61.63 -31.45 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 1.6 m -63.38 -38.86 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.12 -38.55 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.7 mt -73.43 -30.45 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -78.68 -31.17 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 659' ' ' LEU . 53.6 t80 -69.75 -56.74 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . 0.423 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 36.9 m-85 -59.14 -32.92 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.62 -30.77 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.08 -45.73 90.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -66.02 -30.97 71.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.46 ' HG2' HD22 ' A' ' 668' ' ' LEU . 1.3 mmp_? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.678 HG22 ' HB3' ' A' ' 655' ' ' ALA . 25.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.55 160.73 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.16 -43.44 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -71.47 -33.07 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 659' ' ' LEU . 6.5 tp -75.02 -31.69 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.6 -37.17 89.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.456 ' HB ' HD21 ' A' ' 682' ' ' LEU . 26.6 mt -73.91 -35.85 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 656' ' ' LEU . 21.6 mt -62.7 -50.96 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.34 -43.51 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.6 m -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 30.5 t80 -72.44 -33.1 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.77 -30.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -79.49 -29.9 41.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.74 -53.33 3.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.684 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -86.72 -67.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 140.02 -146.33 17.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.62 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.519 HD23 ' HD1' ' A' ' 693' ' ' PHE . 0.8 OUTLIER -124.12 40.68 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -150.77 62.51 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.15 168.25 24.6 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 2.0 m-20 -109.42 -177.53 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -29.85 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -71.34 -57.5 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.244 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.14 -29.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.6 m -72.34 -43.66 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 662' ' ' PHE . 2.5 mp -60.07 -40.98 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -45.49 91.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.93 -53.66 50.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 658' ' ' ILE . 62.4 mt -69.98 -17.47 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.12 32.09 6.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -124.93 145.71 50.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 53.2 Cg_exo -52.31 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -83.9 -39.49 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 14.4 p90 -57.3 -30.39 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.668 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -67.71 -38.25 83.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 693' ' ' PHE . 23.0 mt -76.26 -37.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.61 -32.68 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.27 -29.64 34.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 659' ' ' LEU . 58.0 t80 -77.36 -36.11 53.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . 0.519 ' HD1' HD23 ' A' ' 668' ' ' LEU . 7.4 m-85 -79.16 -30.76 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.31 -40.82 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.78 -41.12 79.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 668' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.647 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.0 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.735 0.302 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -108.13 174.15 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.01 -30.75 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 658' ' ' ILE . 1.4 tt0 -66.02 -38.83 89.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.647 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -66.46 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -57.12 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -54.59 -46.79 73.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.676 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 654' ' ' GLU . 16.7 mt -65.64 -35.31 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.07 -31.84 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.31 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.5 m -62.15 -37.28 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 678' ' ' LEU . 27.2 t80 -60.24 -43.85 95.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.747 HG23 ' HG ' ' A' ' 668' ' ' LEU . 39.4 mt -74.48 -30.26 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -81.26 -28.2 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.56 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 662' ' ' PHE . 28.0 t -69.99 -68.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.68 30.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 663' ' ' ILE . 0.4 OUTLIER -108.02 26.12 10.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 15.0 m-85 -137.06 73.91 50.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . 0.43 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 60.7 Cg_endo -72.75 162.43 41.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.16 . . . . 0.0 112.405 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -109.07 178.12 4.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.32 -36.03 76.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.0 -31.16 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -64.79 -39.46 93.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.92 -38.46 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.4 m -80.45 -30.83 37.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 674' ' ' ALA . 1.5 mt -76.68 -31.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -50.7 47.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.56 94.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.48 -56.05 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.08 -20.57 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.11 31.85 8.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.4 mt -116.16 149.53 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.8 157.41 2.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.5 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.2 p90 -60.28 -35.61 75.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.445 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 13.9 m -60.72 -35.93 77.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . 0.476 HG22 ' HD2' ' A' ' 693' ' ' PHE . 37.3 mt -73.47 -36.75 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.95 -42.94 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -65.02 -36.45 84.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.2 -58.8 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.803 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . 0.476 ' HD2' HG22 ' A' ' 689' ' ' ILE . 21.3 m-85 -56.22 -30.72 62.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -70.81 -32.73 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.95 -2.75 58.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.215 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.0 -20.82 26.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.132 -179.799 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 655' ' ' ALA . 31.2 mt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.886 0.374 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 17.7 t -67.81 162.92 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 31.7 t -58.12 -44.19 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.42 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -67.47 -34.51 77.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.25 -36.74 82.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.36 95.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.3 mt -71.04 -41.78 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 692' ' ' PHE . 7.6 mp -64.87 -39.74 94.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 663' ' ' ILE . 9.1 mm100 -59.1 -43.65 91.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.4 m -61.46 -37.59 84.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.4 -35.22 78.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' ILE . . . . . 0.614 HG23 ' CD1' ' A' ' 668' ' ' LEU . 37.0 mt -70.21 -30.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.59 -30.45 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -67.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.42 -67.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.82 -154.16 25.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 663' ' ' ILE . 3.3 mm? -104.29 31.29 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -140.15 74.43 30.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.91 135.97 34.0 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.238 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.31 -179.63 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.46 -50.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.04 74.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.49 -42.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.88 -52.91 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 15.7 m -59.53 -47.53 85.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.45 -41.17 98.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 6.3 t -73.82 -29.99 62.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -81.15 -54.08 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.62 -30.67 67.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 659' ' ' LEU . 95.9 mt -95.23 -16.98 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.292 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.29 31.84 12.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.4 OUTLIER -114.21 153.06 46.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.726 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 684' ' ' LEU . 71.6 Cg_exo -48.64 162.75 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.545 2.163 . . . . 0.0 112.543 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -75.76 -45.95 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.7 p90 -58.88 -31.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' THR . . . . . 0.462 HG21 HD22 ' A' ' 684' ' ' LEU . 11.6 m -64.0 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.17 -45.68 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.09 -35.74 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -69.17 -36.94 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' PHE . . . . . 0.781 ' CD2' HD23 ' A' ' 659' ' ' LEU . 44.1 t80 -67.23 -49.63 63.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -63.94 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -80.67 -49.61 10.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -58.36 -30.25 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.57 -51.59 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.006 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 48.2 p30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.02 117.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -144.96 74.36 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 645' ' ' THR . 4.8 ttmm -140.75 31.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.659 HG23 ' O ' ' A' ' 644' ' ' LYS . 0.7 OUTLIER -167.63 138.8 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -127.94 142.45 44.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.65 153.46 18.77 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.444 2.096 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -76.16 133.92 40.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.39 163.98 29.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.057 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? 63.07 70.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 31.2 mt 63.34 125.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.3 m -71.02 165.54 23.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.75 -44.17 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.511 ' OE2' HD11 ' A' ' 658' ' ' ILE . 0.5 OUTLIER -65.97 -31.69 72.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.461 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -75.22 -36.61 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.92 -42.12 77.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.63 -42.07 99.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.511 HD11 ' OE2' ' A' ' 654' ' ' GLU . 22.0 mt -76.28 -35.9 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.27 -46.41 77.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.51 94.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -64.34 -32.29 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.3 -37.88 84.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 35.3 mt -73.18 -41.08 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.59 -30.62 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.45 -57.23 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 28.5 t -83.45 -67.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.68 -154.0 25.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 3.0 mp -114.85 51.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -152.62 69.9 7.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 165.87 31.56 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . 0.448 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 4.7 m-20 -119.05 177.37 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.01 -39.54 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -74.06 -30.78 62.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.52 -42.24 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 38.0 mt -71.49 -42.57 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.1 m -77.06 -47.52 20.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 674' ' ' ALA . 11.0 mt -63.85 -41.28 97.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 55.3 p -61.95 -37.88 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -80.26 -32.04 38.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.24 -51.34 11.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.461 HD23 ' HB1' ' A' ' 655' ' ' ALA . 2.9 mp -75.17 -13.2 60.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.23 37.94 3.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -125.77 148.81 63.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -51.95 -179.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.606 2.204 . . . . 0.0 112.366 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -87.09 -42.21 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -60.2 -32.84 71.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.5 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -60.16 -32.03 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.03 -41.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 35.4 mt -64.84 -40.77 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -70.08 -38.81 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.33 -58.62 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.15 -42.23 96.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.22 -43.73 92.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.68 -49.69 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -61.64 -29.68 70.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -58.79 -30.99 68.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -85.97 -26.77 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.21 -42.93 82.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.45 -32.85 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -72.57 -59.45 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.32 -75.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -60.01 132.15 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -110.11 51.88 0.67 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -170.09 124.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.9 mp -96.94 166.61 11.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.1 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.902 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 60.86 174.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.71 105.68 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -137.26 78.54 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 73.6 p -78.97 120.2 23.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -153.75 61.99 3.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.96 -27.63 20.49 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.564 2.176 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -174.43 95.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.41 -65.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -169.35 133.92 1.43 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.533 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 21.7 mt 65.14 115.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 171.59 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.28 -30.69 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.53 -42.84 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.533 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -71.39 -39.67 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 692' ' ' PHE . 6.3 tp -67.03 -38.56 86.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.73 -43.77 97.54 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.9 mt -70.87 -38.19 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.356 . . . . 0.0 110.998 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.437 ' HG ' HD11 ' A' ' 682' ' ' LEU . 52.1 mt -67.09 -40.44 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.664 ' HA ' HD12 ' A' ' 663' ' ' ILE . 3.4 mt-30 -59.18 -39.5 82.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -64.15 -36.29 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.857 ' CE1' HG21 ' A' ' 666' ' ' VAL . 44.3 t80 -68.01 -31.95 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 660' ' ' GLN . 15.8 mt -75.1 -30.27 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -81.11 -27.64 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.94 -64.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.088 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.857 HG21 ' CE1' ' A' ' 662' ' ' PHE . 22.6 t -69.9 -68.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.253 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . 0.664 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 160.87 -104.14 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.487 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.2 mt -137.46 -67.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.625 0.25 . . . . 0.0 110.935 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -70.32 112.12 11.7 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.89 -169.11 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.578 2.186 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 40.4 t0 -125.84 160.6 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -52.87 -28.19 21.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.54 -28.98 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.42 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -78.62 -41.57 31.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.214 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.533 HG23 HD12 ' A' ' 689' ' ' ILE . 45.5 mt -65.29 -46.25 91.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -59.9 -43.37 94.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.3 m -72.05 -42.86 65.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.71 -31.15 71.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.9 m -62.64 -51.01 68.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.57 -44.37 90.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -61.42 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 655' ' ' ALA . 94.7 mt -71.11 -16.35 62.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 66.4 32.11 7.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 42.2 mt -116.94 143.54 31.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.789 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.95 172.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.442 2.094 . . . . 0.0 112.282 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -78.41 -45.37 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 690' ' ' ILE . 18.2 p90 -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.42 97.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.533 HD12 HG23 ' A' ' 675' ' ' ILE . 44.7 mt -70.99 -37.73 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 687' ' ' TYR . 14.2 mt -70.51 -30.7 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -81.32 -29.28 34.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' A' ' 656' ' ' LEU . 89.0 t80 -79.23 -47.32 16.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.9 -30.68 71.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -79.69 -47.61 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.3 -29.41 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.96 -52.27 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -66.97 -51.22 57.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -58.53 -34.99 71.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.01 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.4 -26.75 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.12 40.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.992 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -173.69 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -80.15 -61.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -133.31 120.1 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -99.64 28.13 16.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.43 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -135.79 123.54 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.88 -65.77 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.809 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.914 0.388 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -65.14 159.0 24.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -133.27 161.95 33.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 645' ' ' THR . 28.3 tttm -140.83 168.03 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 644' ' ' LYS . 0.7 OUTLIER -163.0 -177.55 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -122.08 54.59 5.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.77 112.23 3.44 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.308 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 60.54 165.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 5.8 t -134.78 32.73 3.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -118.49 152.32 36.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.681 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 28.1 mt 64.53 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 2.6 t -87.03 166.13 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.0 t -60.4 -29.98 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -59.05 -44.06 91.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.681 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -65.4 -37.1 85.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.91 -41.94 97.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.55 -52.94 50.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.385 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.73 -39.71 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.11 -42.33 99.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 663' ' ' ILE . 11.9 mt-30 -58.88 -44.14 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.8 m -59.47 -31.58 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 53.7 t80 -72.63 -30.25 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 667' ' ' GLY . 21.4 mt -77.59 -33.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -75.16 -31.19 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.16 -65.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.3 t -69.93 -57.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . 0.727 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 133.67 -107.73 0.7 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.49 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 696' ' ' GLN . 0.5 OUTLIER -164.71 31.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -143.33 57.12 5.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.68 178.1 6.12 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.609 2.206 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.84 173.6 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.774 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -57.51 -29.58 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.92 -31.72 61.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -73.93 -42.44 60.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.4 -32.28 57.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.0 -40.07 87.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 3.3 m -72.8 -33.84 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.91 -31.18 61.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . 0.46 ' HA ' HD11 ' A' ' 689' ' ' ILE . 10.8 t -68.2 -44.54 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.2 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -61.22 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.13 -10.59 59.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.367 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.4 t70 65.58 30.84 10.36 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 24.2 mt -114.45 143.05 29.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.15 -176.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.527 2.152 . . . . 0.0 112.325 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . 0.511 ' HB3' HD11 ' A' ' 690' ' ' ILE . 2.3 mptp? -84.62 -48.38 9.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 688' ' ' THR . 14.6 p90 -48.14 -32.54 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.419 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 42.6 m -71.75 -45.99 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.989 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 679' ' ' SER . 33.6 mt -69.7 -36.55 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 686' ' ' LYS . 13.4 mt -69.93 -49.84 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -60.75 -37.71 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -65.29 -56.56 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -61.88 -31.08 71.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -44.45 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.26 -32.19 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 668' ' ' LEU . 52.5 mm-40 -70.6 -34.97 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -70.42 -41.51 72.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -74.66 -34.4 62.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -62.05 -32.89 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.56 -28.69 28.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -97.7 28.9 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -121.71 -42.36 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 706' ' ' LEU . 7.5 p80 -108.05 148.33 29.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -74.69 -27.22 65.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.539 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -148.12 130.08 15.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.439 ' HB3' ' CE1' ' A' ' 703' ' ' HIS . 1.6 pp -86.4 161.37 18.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.963 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.813 0.34 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.27 98.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.5 121.81 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.75 35.61 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.83 105.65 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.85 88.99 3.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.55 168.42 21.33 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.55 2.166 . . . . 0.0 112.308 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.39 121.05 14.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 2.7 t -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -176.74 167.15 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 19.9 mt 63.02 118.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.25 171.38 9.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 36.6 t -57.8 -32.0 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.21 -46.19 84.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.42 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 2.8 tt -63.44 -36.68 84.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.12 71.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.85 -42.74 97.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.39 -34.34 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.718 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.43 -41.34 93.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.1 m -63.61 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.408 ' CE2' HG21 ' A' ' 666' ' ' VAL . 24.0 t80 -60.18 -37.29 79.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 667' ' ' GLY . 22.4 mt -72.19 -32.31 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.83 -28.05 28.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.52 -67.58 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 662' ' ' PHE . 33.2 t -69.98 -69.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 663' ' ' ILE . . . 169.52 -95.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.21 -57.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -69.94 112.17 11.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.78 150.62 14.42 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.475 2.117 . . . . 0.0 112.372 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.65 161.79 13.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.78 -36.76 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.01 -29.28 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.434 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -74.31 -37.42 63.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.3 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.54 -33.88 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -56.28 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.791 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.5 m -60.52 -46.78 88.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 674' ' ' ALA . 21.2 mt -60.84 -40.45 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.6 m -63.57 -57.78 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.12 78.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.01 -58.32 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.58 -11.23 60.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.37 31.39 15.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 110.747 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 29.2 mt -119.84 144.78 38.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.575 2.183 . . . . 0.0 112.212 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -96.22 -39.4 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.421 ' HA ' HD12 ' A' ' 690' ' ' ILE . 16.9 p90 -57.17 -31.08 65.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 34.2 m -72.83 -36.03 67.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -69.69 -35.14 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.4 mt -72.98 -37.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -66.99 -32.42 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -64.31 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -59.02 -29.12 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . 0.436 ' HG2' ' CD1' ' A' ' 698' ' ' TYR . 1.4 tt0 -78.39 -28.75 46.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -79.97 -27.03 39.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -80.3 -31.36 38.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.179 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -47.03 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . 0.436 ' CD1' ' HG2' ' A' ' 694' ' ' GLN . 4.0 m-85 -61.35 -19.97 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.63 -41.79 68.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.19 25.55 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -39.67 2.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.01 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -98.56 -52.13 3.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -75.56 -80.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 117.99 -79.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.621 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -88.62 -178.67 5.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.17 -65.72 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.31 150.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.08 173.79 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -143.57 32.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 3.7 p -143.83 151.41 39.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 101.23 8.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 154.7 72.23 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.412 2.074 . . . . 0.0 112.254 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 145.89 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 1.9 t -117.82 156.02 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.0 171.9 13.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 688' ' ' THR . 18.3 mt -93.59 82.54 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 4.2 m -59.29 178.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.91 -30.8 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.02 -42.26 94.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -75.68 -31.07 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 58.5 tp -68.21 -31.03 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.14 30.21 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 35.2 mt -69.91 -43.7 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.35 -38.77 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.85 -43.78 94.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.5 m -59.6 -32.24 70.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 678' ' ' LEU . 18.5 t80 -69.01 -31.01 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 43.5 mt -71.98 -49.27 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -68.5 -30.07 68.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.34 -66.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.5 t -80.45 -67.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 152.79 -155.12 25.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.1 33.05 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -155.87 72.79 5.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . 0.425 ' HG3' ' CE2' ' A' ' 693' ' ' PHE . 60.5 Cg_endo -72.7 161.83 42.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.586 2.19 . . . . 0.0 112.267 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.93 168.66 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.73 -40.61 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -30.33 66.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.69 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -66.49 -43.4 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.159 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.36 -30.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.038 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.73 -41.87 82.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.2 m -71.13 -33.37 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 662' ' ' PHE . 0.2 OUTLIER -68.75 -39.37 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.93 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 84.0 p -68.55 -40.17 80.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -34.37 69.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.78 -14.89 63.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.359 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 65.82 32.82 8.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.19 150.19 43.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.813 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.68 177.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.525 2.15 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.85 -45.89 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -59.0 -31.44 68.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.405 HG22 HD11 ' A' ' 651' ' ' ILE . 31.5 m -67.34 -33.94 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.3 mt -71.83 -27.0 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.48 -50.12 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.6 -43.03 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -62.38 -53.37 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 670' ' ' PRO . 4.0 m-85 -59.25 -47.06 86.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.82 -40.05 96.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -75.51 -27.79 58.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -56.7 -30.81 63.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.019 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -60.45 -40.53 91.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.79 -32.8 31.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -52.66 -32.57 42.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.16 21.96 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -171.6 32.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -173.87 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -178.29 -176.53 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.104 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 177.98 167.16 35.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -77.47 100.55 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -36.67 83.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.022 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.02 151.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -169.49 100.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 88.91 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 15.1 p 55.69 103.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.96 144.41 53.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.37 167.3 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.474 2.116 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 648' ' ' ARG . 0.3 OUTLIER 62.25 148.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 44.3 p -83.08 -45.59 13.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.198 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 59.37 160.99 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.857 HG23 HD11 ' A' ' 684' ' ' LEU . 33.1 mt -125.31 136.14 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 11.7 p -59.36 151.33 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 27.6 t -59.63 -41.65 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -36.14 83.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.57 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -65.71 -39.2 90.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 656' ' ' LEU . 10.4 tp -63.23 -39.73 95.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.34 -42.49 98.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.01 -35.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 692' ' ' PHE . 8.0 tp -71.59 -38.29 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.2 m -58.04 -42.09 84.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.463 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 11.0 t80 -59.14 -53.61 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.717 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 692' ' ' PHE . 74.2 mt -51.23 -26.23 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.59 -21.12 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -107.77 -82.49 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.633 0.254 . . . . 0.0 111.533 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 11.8 t -104.92 -28.29 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.718 0.294 . . . . 0.0 111.47 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . 0.463 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.46 106.09 0.14 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.057 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.487 ' HB3' ' CD1' ' A' ' 669' ' ' TYR . 2.6 mt 175.21 -37.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.378 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . 0.487 ' CD1' ' HB3' ' A' ' 668' ' ' LEU . 22.2 m-85 -140.84 56.86 7.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 40.1 Cg_endo -67.51 151.43 79.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.543 2.162 . . . . 0.0 112.319 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -109.48 -177.07 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -54.87 -28.85 53.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.76 -32.07 69.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -79.79 -39.65 30.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.56 -44.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -65.71 -42.76 90.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.3 m -70.44 -55.5 8.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 678' ' ' LEU . 37.4 mt -59.44 -31.12 69.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . 0.637 ' HA ' HD11 ' A' ' 689' ' ' ILE . 13.4 t -59.71 -54.35 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -77.25 -30.72 54.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -34.33 75.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.31 1.61 33.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.443 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 59.17 31.04 20.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.857 HD11 HG23 ' A' ' 651' ' ' ILE . 17.9 mt -119.01 148.42 44.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.795 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 -176.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.572 2.181 . . . . 0.0 112.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -56.13 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 690' ' ' ILE . 31.5 p90 -58.23 -29.88 66.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.465 HG21 HD22 ' A' ' 684' ' ' LEU . 20.8 m -59.04 -36.59 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 679' ' ' SER . 30.8 mt -81.69 -30.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 687' ' ' TYR . 42.5 mt -69.5 -37.0 73.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.93 57.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.54 ' CZ ' HD23 ' A' ' 659' ' ' LEU . 16.4 t80 -66.19 -55.13 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . 0.453 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 28.5 m-85 -60.24 -35.91 76.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -32.36 73.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.35 -37.63 83.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -64.89 -45.07 87.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -36.82 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . 0.533 ' CD1' HD13 ' A' ' 706' ' ' LEU . 34.2 t80 -76.16 -29.46 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 14.7 mt -97.2 39.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 -47.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.01 -53.77 7.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.009 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 29.3 m170 62.27 91.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 173.22 -77.4 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.568 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -134.47 148.09 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 699' ' ' TYR . 0.6 OUTLIER -123.85 160.34 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.915 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 43.31 69.71 0.37 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -72.05 133.44 45.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.1 172.01 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.032 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.92 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.13 127.92 89.78 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.68 80.17 1.47 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.369 2.046 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 82.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 9.5 t -151.2 -170.7 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -102.1 152.73 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 110.762 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.808 HG23 HD11 ' A' ' 684' ' ' LEU . 24.2 mt 66.43 131.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 37.0 p -59.1 158.53 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.56 -29.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.37 -44.04 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.991 ' HB1' HD23 ' A' ' 682' ' ' LEU . . . -67.93 -35.09 77.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 656' ' ' LEU . 0.3 OUTLIER -59.88 -55.67 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.729 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.38 50.99 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.715 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 51.5 mt -69.47 -40.07 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.981 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.62 -34.17 77.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -69.87 -32.91 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 16.9 m -70.23 -32.52 70.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.501 ' CE2' HG21 ' A' ' 666' ' ' VAL . 53.0 t80 -68.21 -37.59 81.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 11.6 mt -72.87 -42.57 60.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.49 -28.56 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -96.31 -63.79 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.501 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.9 t -75.49 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 141.44 -134.97 6.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.612 HD23 ' HG2' ' A' ' 697' ' ' ARG . 5.0 mp -124.86 31.37 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -137.12 65.75 51.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.49 164.73 34.76 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.42 178.36 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.5 66.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.72 -37.12 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.26 -32.08 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -43.5 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -66.07 -36.29 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.8 mp -75.29 -37.73 60.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 18.0 t -58.88 -31.58 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -87.75 -34.11 18.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.38 -35.14 58.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.991 HD23 ' HB1' ' A' ' 655' ' ' ALA . 3.4 mp -93.77 -13.63 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.27 40.34 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.808 HD11 HG23 ' A' ' 651' ' ' ILE . 17.7 mt -127.8 148.4 66.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 174.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.497 2.131 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -81.28 -45.85 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.59 -31.53 68.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 1.3 m -59.28 -41.69 89.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.63 -34.95 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 52.6 mt -67.74 -30.49 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -82.04 -31.5 30.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -73.02 -48.78 33.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.33 -46.1 81.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -60.48 -38.17 83.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -72.03 -31.65 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -63.72 -39.26 93.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.982 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.612 ' HG2' HD23 ' A' ' 668' ' ' LEU . 0.7 OUTLIER -59.82 -35.43 74.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -87.72 -44.83 10.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . 0.435 ' CE1' ' HA2' ' A' ' 704' ' ' GLY . 37.3 t80 -47.84 -28.69 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 2.1 mt -97.57 -24.13 15.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -102.37 30.62 4.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -152.57 -79.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.07 -177.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.997 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . 0.435 ' HA2' ' CE1' ' A' ' 699' ' ' TYR . . . -78.82 60.99 4.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -71.33 102.3 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 178.77 4.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 28.2 t30 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -94.63 80.82 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -168.58 116.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt 60.21 102.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 3.2 p -133.92 107.61 7.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 60.17 90.83 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.82 176.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.546 2.164 . . . . 0.0 112.432 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.68 168.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 649' ' ' THR . 9.4 t -121.98 112.85 18.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.189 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 156.26 34.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.644 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.6 mt -71.84 121.42 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.1 m -74.39 168.54 19.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.2 t -57.14 -30.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 658' ' ' ILE . 0.7 OUTLIER -60.41 -49.42 77.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.766 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.644 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.43 -40.65 97.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -59.56 -54.88 34.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.423 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 654' ' ' GLU . 6.2 mt -65.17 -30.74 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 682' ' ' LEU . 0.5 OUTLIER -60.85 -50.59 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -59.2 -35.05 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -49.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.49 ' CD2' ' CA ' ' A' ' 667' ' ' GLY . 16.0 t80 -67.54 -53.43 28.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.722 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 659' ' ' LEU . 16.1 mt -50.84 -26.72 4.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -86.62 -21.49 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.17 -77.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 111.245 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 15.6 t -114.98 -27.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . 0.49 ' CA ' ' CD2' ' A' ' 662' ' ' PHE . . . -47.92 111.82 0.93 Allowed Glycine 0 C--N 1.329 0.177 0 C-N-CA 120.912 -0.661 . . . . 0.0 113.222 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 669' ' ' TYR . 2.0 mt 177.65 -40.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.234 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 17.8 m-85 -145.11 58.82 5.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.719 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.73 149.93 78.93 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.568 2.179 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -92.99 -176.31 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.31 -31.33 65.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -32.9 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.472 ' O ' HD23 ' A' ' 678' ' ' LEU . . . -70.16 -40.77 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 689' ' ' ILE . 31.3 mt -72.24 -30.4 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -66.58 -44.5 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.2 m -73.72 -41.05 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 674' ' ' ALA . 2.7 mm? -58.75 -45.95 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.7 m -61.31 -52.19 65.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.36 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -54.25 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.643 HD13 HD21 ' A' ' 659' ' ' LEU . 0.7 OUTLIER -86.78 5.04 38.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.391 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 56.46 29.67 15.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.871 0.367 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.89 144.59 29.94 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.002 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 50.6 Cg_exo -53.18 -176.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.571 2.181 . . . . 0.0 112.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -87.93 -34.74 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 17.1 p90 -64.63 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.409 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 24.1 m -69.44 -34.64 74.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 675' ' ' ILE . 30.8 mm -71.93 -29.31 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.58 -33.56 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -81.94 -35.7 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 659' ' ' LEU . 38.2 t80 -69.9 -53.63 17.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.89 -41.31 86.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.77 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -60.58 -29.49 69.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -57.28 -32.3 66.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -74.16 -30.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -76.65 -20.23 56.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -66.17 -43.95 85.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.988 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.86 47.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -177.61 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -94.84 -175.74 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 61.48 164.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -105.58 174.25 20.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.57 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt 60.07 107.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.04 -78.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.93 88.39 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -145.8 151.13 37.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -110.4 135.73 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.7 p -96.85 133.05 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -69.34 123.76 89.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.8 176.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.497 2.131 . . . . 0.0 112.26 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 61.02 113.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 649' ' ' THR . 8.1 t -59.38 114.04 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -102.72 90.93 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 684' ' ' LEU . 34.3 mt -82.74 138.34 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 75.2 m -59.92 147.94 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.54 -35.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.0 -40.66 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -67.32 -44.95 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.4 -35.69 76.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.22 -45.26 56.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 20.9 mt -73.4 -33.76 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -53.03 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 2.9 m -65.16 -36.3 83.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.29 -37.64 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 20.8 mt -72.19 -31.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -31.22 27.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.96 -43.09 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.66 -67.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 148.6 -161.75 28.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.96 31.65 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -142.94 70.73 18.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.29 -175.28 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.558 2.172 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -119.36 166.28 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -47.03 86.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.74 -30.74 71.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.531 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -61.5 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.55 -33.42 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.78 -41.5 87.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 23.7 m -76.08 -35.63 59.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 674' ' ' ALA . 2.3 mt -69.65 -35.89 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.4 m -65.46 -42.21 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.99 69.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -79.82 -55.2 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' A' ' 655' ' ' ALA . 43.2 mt -71.94 -13.85 61.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.251 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 64.8 31.65 11.55 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 651' ' ' ILE . 19.5 mt -115.4 145.73 35.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 169.46 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.461 2.107 . . . . 0.0 112.209 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 -52.67 9.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -59.22 -32.71 70.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 28.4 m -59.28 -34.73 72.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 36.5 mt -79.57 -32.48 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.99 -38.44 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.17 -31.03 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.95 -42.6 48.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -50.53 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.809 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.24 -28.0 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . 0.435 ' O ' HD23 ' A' ' 700' ' ' LEU . 43.8 mm-40 -57.5 -58.22 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -60.72 -50.31 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -58.54 -33.89 70.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.752 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -62.96 -45.94 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.534 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 696' ' ' GLN . 0.8 OUTLIER -95.52 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -62.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -82.39 -56.28 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -83.26 178.34 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -111.9 -74.74 0.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -132.8 123.55 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.59 -75.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.895 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.729 0.3 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -69.38 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -99.8 161.75 13.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 163.31 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.71 178.93 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.92 88.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -27.46 28.48 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.596 2.197 . . . . 0.0 112.438 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.51 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.982 0.42 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.36 32.44 12.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.054 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.08 118.87 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.462 HG22 ' HB3' ' A' ' 655' ' ' ALA . 22.1 mt -98.72 138.96 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 3.5 m -66.05 154.96 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.65 -28.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 658' ' ' ILE . 46.1 mm-40 -57.52 -47.74 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.673 ' HA ' HD22 ' A' ' 682' ' ' LEU . . . -70.38 -40.02 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.42 -39.06 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.33 -59.1 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 654' ' ' GLU . 3.7 mt -60.5 -31.18 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.698 HD23 ' CD2' ' A' ' 692' ' ' PHE . 1.1 mp -62.29 -46.28 89.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -64.47 -34.75 78.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 56.4 m -63.09 -41.06 99.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.56 -36.97 85.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 26.1 mt -75.22 -31.37 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -82.99 -29.48 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.57 -36.67 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.32 -68.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 147.65 -156.33 26.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 668' ' ' LEU . 0.8 OUTLIER -103.67 36.45 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -138.17 67.79 47.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -175.52 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . 0.543 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 3.5 t70 -140.36 175.08 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -57.54 -37.95 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -29.56 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.543 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -74.96 -50.63 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.538 HG22 ' HG3' ' A' ' 686' ' ' LYS . 43.3 mt -63.57 -34.07 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.19 -46.48 86.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.6 m -75.79 -31.06 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.3 OUTLIER -70.06 -40.29 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -42.3 97.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -68.99 -50.5 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.42 -32.23 73.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 655' ' ' ALA . 61.6 mt -89.85 -19.28 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.35 30.97 15.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.818 0.342 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 685' ' ' PRO . 11.8 mt -127.98 147.79 64.63 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.797 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 684' ' ' LEU . 5.3 Cg_endo -47.98 166.3 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.828 2.352 . . . . 0.0 112.282 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . 0.538 ' HG3' HG22 ' A' ' 675' ' ' ILE . 0.0 OUTLIER -81.84 -37.62 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.566 ' HA ' HD12 ' A' ' 690' ' ' ILE . 8.7 p90 -57.62 -21.72 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.287 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 26.2 m -78.08 -40.93 36.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.58 -34.32 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 687' ' ' TYR . 15.1 mt -71.24 -42.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -63.6 -31.52 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.698 ' CD2' HD23 ' A' ' 659' ' ' LEU . 84.6 t80 -76.59 -42.52 42.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.71 -31.49 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -78.96 -31.51 45.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -81.12 -29.34 34.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -58.19 -38.87 77.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -65.41 -34.5 78.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.02 12.03 23.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.306 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -100.05 -30.42 11.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 8.1 mt -96.53 39.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.976 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -169.68 -63.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -73.88 -70.25 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -60.72 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -83.44 -51.77 3.99 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.39 48.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 6.7 mt 60.94 158.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.89 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.861 0.362 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -130.27 -48.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.11 161.97 30.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -98.4 106.61 18.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 10.0 p -91.75 89.06 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.25 90.38 20.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.29 -53.77 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.445 2.097 . . . . 0.0 112.284 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 54.29 93.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 3.2 m -163.33 147.2 10.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -110.96 169.47 8.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.636 HD11 ' CG2' ' A' ' 688' ' ' THR . 3.2 mt 62.1 116.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 169.72 17.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.62 -33.75 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -63.44 -44.19 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.539 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.27 -44.95 96.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.1 96.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.53 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 10.2 mt -69.05 -34.52 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 111.031 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.709 HD23 ' CE2' ' A' ' 692' ' ' PHE . 6.4 tp -65.84 -42.72 90.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' ' 663' ' ' ILE . 25.5 mm100 -59.89 -38.16 81.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -66.33 -32.69 74.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 660' ' ' GLN . 18.8 mt -76.72 -30.73 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.52 -31.0 53.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.31 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.27 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 137.22 -155.19 22.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.512 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.6 mp -103.76 31.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -138.47 73.94 41.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.95 139.17 35.54 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.621 2.214 . . . . 0.0 112.369 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.74 174.08 10.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.17 -39.31 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -30.67 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.45 96.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.53 -31.24 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -71.88 -39.55 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 22.3 m -77.31 -48.15 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.28 -31.99 70.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 88.3 p -68.22 -45.99 71.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -58.07 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.636 ' CD1' HD13 ' A' ' 659' ' ' LEU . 48.2 mt -71.51 -14.23 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 15.9 t0 70.44 34.73 2.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 684' ' ' LEU . 3.4 mm? -122.09 140.61 32.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.39 179.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 -44.31 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -60.15 -31.14 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 651' ' ' ILE . 27.8 m -58.87 -37.01 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 29.9 mm -72.99 -42.51 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.2 mt -67.32 -48.4 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.41 -43.4 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.709 ' CE2' HD23 ' A' ' 659' ' ' LEU . 68.0 t80 -68.52 -55.49 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -58.4 -30.35 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.19 -48.74 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.42 -30.22 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . 0.403 ' O ' HD13 ' A' ' 700' ' ' LEU . 7.9 mm-40 -59.93 -39.38 85.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.512 ' HG2' HD22 ' A' ' 668' ' ' LEU . 37.2 mtp180 -76.9 -33.93 57.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.61 -47.14 73.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . 0.501 ' OH ' HD12 ' A' ' 706' ' ' LEU . 34.5 t80 -60.04 -30.26 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 696' ' ' GLN . 6.8 mp -95.76 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.36 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -61.22 -47.68 84.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -96.43 -69.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . 104.56 -40.29 2.52 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -149.64 142.66 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.501 HD12 ' OH ' ' A' ' 699' ' ' TYR . 0.2 OUTLIER -70.99 139.85 50.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.928 0.394 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.84 157.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.838 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -104.09 130.06 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.86 133.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 4.6 t -155.54 153.63 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.5 106.23 0.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.8 102.14 0.41 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.13 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 96.86 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 1.8 t 41.38 80.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.787 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 133.0 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.791 HG22 ' HB3' ' A' ' 655' ' ' ALA . 30.5 mt -97.41 133.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.54 156.08 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.39 -37.03 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -44.73 96.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.791 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -68.25 -34.7 76.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.13 -38.65 85.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.46 97.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.545 HD12 HD21 ' A' ' 682' ' ' LEU . 48.1 mt -68.17 -39.08 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.21 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.43 -42.86 96.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.22 -33.71 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.55 -51.7 68.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 21.6 pt -70.45 -25.0 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -81.86 -32.23 31.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -100.99 -63.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 36.3 t -70.9 -48.61 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 117.65 -169.91 13.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.533 HD22 ' HG2' ' A' ' 697' ' ' ARG . 1.8 mp -100.96 31.69 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -123.57 62.2 23.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.92 172.53 13.6 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.611 2.208 . . . . 0.0 112.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . 0.549 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 1.8 t0 -129.23 175.8 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.04 -51.26 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.02 -29.7 70.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.549 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -67.79 -51.91 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.59 -30.08 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.12 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.836 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 2.7 m -84.17 -32.27 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.7 OUTLIER -71.1 -33.56 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.983 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 19.0 p -72.92 -50.14 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.71 88.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -62.76 -63.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.545 HD21 HD12 ' A' ' 658' ' ' ILE . 42.2 mt -70.01 -13.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.14 66.1 0.65 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.492 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -151.1 151.33 29.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.492 ' HD2' HD23 ' A' ' 684' ' ' LEU . 77.7 Cg_exo -50.23 152.05 8.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 112.375 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -66.8 -45.41 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 688' ' ' THR . 9.2 p90 -57.85 -27.46 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 25.2 m -58.28 -45.95 86.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.14 -37.55 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.75 -37.65 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -72.56 -30.67 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.5 -58.31 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -58.66 -30.37 67.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -82.04 -29.97 31.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -83.0 -15.24 51.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.353 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . 0.751 ' O ' HD12 ' A' ' 700' ' ' LEU . 83.3 mm-40 -98.41 -31.07 12.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.533 ' HG2' HD22 ' A' ' 668' ' ' LEU . 17.3 mtm180 -75.93 -46.77 28.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -71.19 -26.6 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -60.87 -42.09 97.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.939 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 696' ' ' GLN . 1.0 OUTLIER -97.01 39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -157.22 -46.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -122.49 173.5 7.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 60.59 -178.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -113.97 -66.21 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.522 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 126.74 16.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.7 141.23 45.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.758 0.313 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -47.61 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -150.1 95.4 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -36.96 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 6.9 p 59.05 113.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -105.99 86.87 2.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.36 157.0 60.55 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.508 2.138 . . . . 0.0 112.377 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.19 160.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 9.9 t -134.56 -179.4 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 179.55 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 27.3 mt 63.91 133.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 38.9 t -81.04 160.92 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.81 -31.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 658' ' ' ILE . 9.3 mm-40 -71.56 -36.93 71.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 659' ' ' LEU . . . -69.32 -41.19 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.77 93.73 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 654' ' ' GLU . 7.3 mt -70.67 -30.77 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 655' ' ' ALA . 4.8 mt -71.01 -41.57 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.92 -43.73 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.4 m -65.89 -30.79 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.742 ' CE2' HG21 ' A' ' 666' ' ' VAL . 32.0 t80 -70.16 -35.67 74.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.544 HG23 ' HG ' ' A' ' 668' ' ' LEU . 15.0 mt -73.97 -32.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -82.66 -24.72 33.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.17 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.742 HG21 ' CE2' ' A' ' 662' ' ' PHE . 21.6 t -69.85 -69.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.397 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.42 35.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 663' ' ' ILE . 4.3 mp -94.21 -23.32 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.711 0.291 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -106.56 84.68 1.52 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.083 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.69 -168.86 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.614 2.209 . . . . 0.0 112.191 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.22 172.91 9.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -31.79 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -74.99 -31.66 61.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -71.09 -44.12 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.048 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.12 -31.91 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -66.5 -43.15 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.4 m -71.46 -46.08 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.4 mp -63.98 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -46.54 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -70.66 -45.13 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.04 -60.63 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 30.7 mt -70.02 -16.8 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.217 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 1.9 t0 67.61 32.65 5.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.27 147.16 35.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.5 171.78 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.497 2.131 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.08 -46.66 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -58.6 -31.52 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 19.4 m -65.02 -34.06 77.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.1 mt -79.9 -36.99 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.43 -41.55 88.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -33.18 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.24 -47.18 58.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -65.16 -40.04 93.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.33 73.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.59 -28.95 67.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -57.54 -35.32 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.447 ' NH1' HD22 ' A' ' 668' ' ' LEU . 6.2 mmp_? -61.72 -37.71 85.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.749 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -79.98 -25.02 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.6 -29.71 52.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.47 30.94 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -141.72 -47.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -76.6 -49.75 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.56 127.01 31.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.991 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -72.54 -32.15 62.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.397 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 123.84 7.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 706' ' ' LEU . 1.4 pt? -60.72 141.56 56.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.903 0.383 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -90.8 179.21 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.976 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.21 89.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 -171.27 3.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 31.2 p -115.66 169.3 9.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -131.57 133.46 24.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.33 96.74 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.223 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -105.01 -77.47 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . 0.545 HG21 ' OG1' ' A' ' 688' ' ' THR . 2.1 p -108.91 134.4 51.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.43 100.02 7.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.602 HG22 ' HB3' ' A' ' 655' ' ' ALA . 29.1 mt -95.35 136.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 61.8 m -80.5 167.8 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 37.4 t -63.04 -36.11 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -62.9 -36.67 84.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.616 ' O ' HD23 ' A' ' 659' ' ' LEU . . . -71.76 -38.89 70.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 30.7 tp -61.57 -37.62 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.25 90.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 17.9 mt -72.42 -33.73 46.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 655' ' ' ALA . 3.4 mm? -64.92 -39.46 93.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -69.5 -36.01 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 23.5 m -70.43 -34.76 72.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 678' ' ' LEU . 21.5 t80 -63.68 -40.61 97.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.505 HG23 ' HG ' ' A' ' 668' ' ' LEU . 6.9 mt -72.98 -33.08 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -73.05 -28.64 62.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -95.63 -41.95 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 -68.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 144.12 -148.91 20.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 663' ' ' ILE . 1.4 mp -119.68 28.63 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -140.94 56.8 7.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.82 -169.41 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.581 2.188 . . . . 0.0 112.384 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.66 169.65 9.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -56.58 -29.24 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.7 -38.39 73.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.56 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . 0.653 HG23 HG21 ' A' ' 689' ' ' ILE . 48.4 mt -69.78 -32.53 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -65.23 -41.18 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 7.4 m -69.63 -45.21 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 662' ' ' PHE . 1.4 mp -65.92 -46.32 78.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 10.1 t -59.43 -32.2 69.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -85.21 -43.59 13.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.04 -33.99 76.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.461 ' HB3' HD12 ' A' ' 684' ' ' LEU . 5.6 mt -96.91 -10.65 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.67 31.94 16.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.817 0.341 . . . . 0.0 110.749 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 682' ' ' LEU . 9.3 mt -113.58 142.73 28.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.29 177.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -83.03 -44.33 15.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -54.98 -23.33 18.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.545 ' OG1' HG21 ' A' ' 649' ' ' THR . 62.6 m -72.03 -38.28 69.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.941 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.653 HG21 HG23 ' A' ' 675' ' ' ILE . 33.0 mm -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.985 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 34.1 mt -74.8 -34.14 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -70.5 -42.43 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.73 -49.32 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.04 -42.36 94.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.773 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.33 -39.81 89.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.95 -33.67 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -60.31 -33.48 72.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 14.3 mtm-85 -59.78 -45.88 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.81 -39.65 63.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -65.49 -24.62 67.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 20.4 mt -95.89 38.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -170.19 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.84 -72.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -73.77 108.73 6.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -77.94 -68.76 1.47 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 96.69 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 17.6 tp -63.46 -48.79 76.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.849 0.356 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.25 123.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -88.95 170.16 10.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.7 146.59 25.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 40.8 p -90.78 132.16 36.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 63.3 88.34 0.12 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -51.11 99.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.597 2.198 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -71.88 140.13 49.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 15.0 m 60.96 81.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -107.43 131.62 54.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.426 HG22 ' HB3' ' A' ' 655' ' ' ALA . 27.1 mt -101.61 145.79 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.4 p -60.24 150.29 30.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.78 -34.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.86 -37.33 84.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.506 ' CB ' HD22 ' A' ' 682' ' ' LEU . . . -67.15 -41.27 86.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.76 -30.67 69.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -68.54 -51.45 31.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.19 -30.8 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 692' ' ' PHE . 1.7 mp -69.07 -47.71 64.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -60.56 -31.63 70.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 49.0 m -76.47 -38.22 55.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -61.21 -33.19 73.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 668' ' ' LEU . 4.9 mt -80.49 -32.68 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.7 -22.48 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.208 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -96.6 -42.08 8.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.128 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 25.8 t -96.6 -70.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 158.97 -161.48 31.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.542 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 663' ' ' ILE . 0.1 OUTLIER -107.67 30.54 6.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.793 0.33 . . . . 0.0 110.975 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 28.6 m-85 -144.86 69.52 14.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.01 147.66 43.7 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.539 2.159 . . . . 0.0 112.387 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -81.01 159.0 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.9 -39.79 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.86 -30.53 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -72.29 -33.15 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.96 -30.59 47.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -75.51 -36.39 60.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -36.75 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 674' ' ' ALA . 0.9 OUTLIER -70.88 -30.9 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 14.4 t -67.89 -44.61 76.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.88 -52.92 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 655' ' ' ALA . 9.4 mt -76.26 -11.7 59.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.3 31.47 17.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.901 0.382 . . . . 0.0 110.894 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 688' ' ' THR . 1.0 OUTLIER -119.88 147.21 43.71 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.502 ' HD2' HD23 ' A' ' 684' ' ' LEU . 36.9 Cg_endo -65.83 153.3 78.74 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.416 2.077 . . . . 0.0 112.263 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -55.61 -36.2 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -52.65 -27.41 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.554 HG21 HD22 ' A' ' 684' ' ' LEU . 3.2 m -82.74 -31.42 28.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.223 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 26.9 mt -81.42 -35.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.433 HG22 ' OE1' ' A' ' 694' ' ' GLN . 12.4 mt -70.1 -40.79 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.529 ' CE2' HD23 ' A' ' 659' ' ' LEU . 75.0 t80 -64.65 -54.82 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -61.4 -42.75 99.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . 0.433 ' OE1' HG22 ' A' ' 690' ' ' ILE . 25.3 mt-30 -64.79 -42.42 95.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.43 -37.81 84.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -64.48 -43.41 94.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 668' ' ' LEU . 10.2 mtm180 -59.95 -37.0 78.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . 0.502 ' CD1' ' CD2' ' A' ' 702' ' ' HIS . 0.2 OUTLIER -61.75 -57.23 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -51.29 -26.96 8.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.69 -28.99 45.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 702' ' ' HIS . 0.9 OUTLIER -119.21 29.23 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.056 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . 0.502 ' CD2' ' CD1' ' A' ' 698' ' ' TYR . 77.6 m-70 -158.67 64.51 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.972 0.415 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -91.7 50.89 1.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.754 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -89.67 100.29 2.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.77 39.84 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 50.2 mt -121.57 142.32 50.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.963 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.819 0.342 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 174.96 11.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 91.4 3.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.07 31.75 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.14 106.45 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.39 110.96 6.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.01 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.17 66.15 0.65 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.55 2.166 . . . . 0.0 112.202 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.02 137.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.4 154.34 34.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.35 40.03 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 32.9 mt -103.62 91.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 89.4 p -60.19 172.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.81 -37.62 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -63.6 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.33 85.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.51 -35.53 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -63.36 -48.25 80.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.31 -32.37 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.43 -38.3 81.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.776 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 663' ' ' ILE . 55.0 mt-30 -59.18 -51.2 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.4 m -59.84 -31.05 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 12.2 t80 -69.94 -31.84 69.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 660' ' ' GLN . 6.4 mt -76.04 -32.88 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -31.16 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -74.45 -66.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 143.55 -147.11 18.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 1.1 mt -124.98 31.14 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -139.84 63.98 27.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.51 163.78 37.89 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.529 2.152 . . . . 0.0 112.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.51 171.39 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.41 -30.26 62.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.54 -29.36 64.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -78.71 -39.94 35.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.76 -40.08 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -69.5 -43.64 72.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.0 m -73.4 -31.27 63.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.473 ' HB3' HD13 ' A' ' 689' ' ' ILE . 14.9 mt -67.73 -40.05 84.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . 0.531 ' HA ' HD11 ' A' ' 689' ' ' ILE . 54.7 p -64.97 -44.01 90.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.28 64.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -55.12 32.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.88 32.3 6.67 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.892 0.377 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 684' ' ' LEU . 13.5 mt -119.73 148.72 46.83 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 174.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.612 2.208 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -80.06 -53.43 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -58.79 -31.06 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . . . . . . . . . 24.3 m -61.2 -40.48 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 679' ' ' SER . 36.1 mt -75.3 -39.07 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.82 -51.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -59.33 -32.49 70.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -73.28 -59.0 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -59.81 -39.77 86.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.73 -33.73 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.98 -31.24 44.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -62.65 -33.45 75.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -59.98 -30.71 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.21 -29.31 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -57.98 -30.49 66.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 2.6 mt -97.17 45.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.7 -63.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -59.78 -62.32 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -162.0 174.12 13.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -128.36 72.18 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.552 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.22 100.23 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.87 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 3.2 pttt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.919 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.822 0.344 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 16.3 mmt-85 63.83 135.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.3 -174.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.29 115.37 10.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.08 108.38 19.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -129.63 107.37 17.14 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.68 -22.94 43.05 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.338 2.026 . . . . 0.0 112.419 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -30.79 66.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 5.7 m -145.58 110.93 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.5 139.69 18.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . . . . . . . . . 21.2 mt 63.09 143.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 9.6 m -68.6 146.7 52.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.38 -30.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.55 -32.66 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 659' ' ' LEU . . . -73.06 -37.48 66.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 656' ' ' LEU . 1.3 tm? -58.25 -57.98 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -53.28 -42.54 63.78 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.679 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.71 -40.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.833 HD23 ' CE2' ' A' ' 692' ' ' PHE . 4.7 mp -60.77 -38.11 84.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.51 -44.2 91.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.0 m -60.32 -31.53 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.793 ' CE1' HG21 ' A' ' 666' ' ' VAL . 43.8 t80 -67.33 -36.97 82.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 38.7 mt -73.42 -34.53 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -31.31 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.99 -61.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' A' ' 662' ' ' PHE . 21.5 t -79.07 -66.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 133.83 -159.12 23.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.46 HD22 ' HG2' ' A' ' 697' ' ' ARG . 2.4 mt -99.52 31.38 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -128.26 64.01 65.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . 0.423 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 59.0 Cg_endo -71.99 142.78 39.27 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.579 2.186 . . . . 0.0 112.349 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -101.92 172.12 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.42 -27.29 15.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -34.68 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -77.47 -33.16 54.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.3 mt -76.88 -23.47 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -88.53 -29.87 19.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.583 HG23 HD12 ' A' ' 678' ' ' LEU . 5.8 t -76.91 -29.21 55.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.129 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 677' ' ' THR . 7.6 mp -81.77 -44.91 16.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 91.1 p -62.03 -38.92 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -74.54 -46.38 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -66.29 -47.86 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 41.4 mt -80.11 -19.62 46.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 67.72 40.36 2.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 7.7 mt -119.51 152.12 52.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.26 169.66 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.566 2.177 . . . . 0.0 112.36 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.17 19.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 688' ' ' THR . 15.9 p90 -61.63 -31.45 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.404 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 1.6 m -63.38 -38.86 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.12 -38.55 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 19.7 mt -73.43 -30.45 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -78.68 -31.17 46.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.833 ' CE2' HD23 ' A' ' 659' ' ' LEU . 53.6 t80 -69.75 -56.74 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.063 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . 0.423 ' CD2' ' HG3' ' A' ' 670' ' ' PRO . 36.9 m-85 -59.14 -32.92 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.62 -30.77 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.08 -45.73 90.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -66.02 -30.97 71.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.46 ' HG2' HD22 ' A' ' 668' ' ' LEU . 1.3 mmp_? -69.38 -30.9 68.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -90.53 -30.78 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -59.48 -30.71 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 4.3 mt -95.49 44.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.12 -59.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -87.16 -70.98 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -64.42 82.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -104.96 28.45 14.68 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -141.0 87.95 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.34 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.907 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 28.8 t30 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.807 0.337 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.2 95.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -116.71 142.39 46.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt 63.15 143.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 5.3 t -154.11 169.51 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 63.27 127.42 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 104.76 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.356 2.037 . . . . 0.0 112.257 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -77.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 3.0 m -105.61 -39.05 6.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.17 168.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.678 HG22 ' HB3' ' A' ' 655' ' ' ALA . 25.1 mt -135.53 127.98 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.55 160.73 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.16 -43.44 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.678 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -71.47 -33.07 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.541 ' HA ' HD12 ' A' ' 659' ' ' LEU . 6.5 tp -75.02 -31.69 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -67.6 -37.17 89.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.456 ' HB ' HD21 ' A' ' 682' ' ' LEU . 26.6 mt -73.91 -35.85 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 656' ' ' LEU . 21.6 mt -62.7 -50.96 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.34 -43.51 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 3.6 m -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 666' ' ' VAL . 30.5 t80 -72.44 -33.1 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.77 -30.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -79.49 -29.9 41.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.74 -53.33 3.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.684 HG21 ' CZ ' ' A' ' 662' ' ' PHE . 21.4 t -86.72 -67.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 140.02 -146.33 17.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.62 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.519 HD23 ' HD1' ' A' ' 693' ' ' PHE . 0.8 OUTLIER -124.12 40.68 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -150.77 62.51 5.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.15 168.25 24.6 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' A' ' 674' ' ' ALA . 2.0 m-20 -109.42 -177.53 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -29.85 70.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.432 ' HB3' ' H ' ' A' ' 671' ' ' ASP . . . -71.34 -57.5 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.244 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.14 -29.69 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 24.6 m -72.34 -43.66 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 662' ' ' PHE . 2.5 mp -60.07 -40.98 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.805 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -45.49 91.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -62.93 -53.66 50.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.456 HD21 ' HB ' ' A' ' 658' ' ' ILE . 62.4 mt -69.98 -17.47 63.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.12 32.09 6.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.379 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.668 HD22 HG21 ' A' ' 688' ' ' THR . 6.8 mt -124.93 145.71 50.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 687' ' ' TYR . 53.2 Cg_exo -52.31 -176.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.531 2.154 . . . . 0.0 112.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -83.9 -39.49 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 685' ' ' PRO . 14.4 p90 -57.3 -30.39 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.668 HG21 HD22 ' A' ' 684' ' ' LEU . 0.2 OUTLIER -67.71 -38.25 83.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.474 HG22 ' HD2' ' A' ' 693' ' ' PHE . 23.0 mt -76.26 -37.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.61 -32.68 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -81.27 -29.64 34.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 659' ' ' LEU . 58.0 t80 -77.36 -36.11 53.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . 0.519 ' HD1' HD23 ' A' ' 668' ' ' LEU . 7.4 m-85 -79.16 -30.76 43.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -75.31 -40.82 58.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -68.78 -41.12 79.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . 0.407 ' O ' HD13 ' A' ' 700' ' ' LEU . 28.9 mm-40 -58.75 -30.04 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 668' ' ' LEU . 0.0 OUTLIER -82.37 -48.32 11.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.81 -27.96 67.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.87 -27.8 53.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 696' ' ' GLN . 10.6 mp -82.21 -35.79 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.031 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.54 30.08 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -113.64 -34.25 5.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -120.94 -176.92 3.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -99.16 132.98 11.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt 60.6 169.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 1.8 mt -103.49 158.16 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.144 -0.932 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.795 0.331 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.25 106.18 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 60.8 -175.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -177.27 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 1.4 m -152.01 108.96 3.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.231 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 63.12 133.53 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.48 -170.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.497 2.131 . . . . 0.0 112.226 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 90.66 7.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . . . . . . . . . 18.8 p -147.45 126.54 12.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -105.32 58.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.647 ' CG2' ' HB3' ' A' ' 655' ' ' ALA . 30.0 mt -92.72 149.7 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 1.3 m -108.13 174.15 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.01 -30.75 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 658' ' ' ILE . 1.4 tt0 -66.02 -38.83 89.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.647 ' HB3' ' CG2' ' A' ' 651' ' ' ILE . . . -66.46 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -57.12 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -54.59 -46.79 73.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.676 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 654' ' ' GLU . 16.7 mt -65.64 -35.31 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.07 -31.84 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -46.31 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 1.5 m -62.15 -37.28 84.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 678' ' ' LEU . 27.2 t80 -60.24 -43.85 95.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.747 HG23 ' HG ' ' A' ' 668' ' ' LEU . 39.4 mt -74.48 -30.26 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -81.26 -28.2 34.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.56 -65.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 662' ' ' PHE . 28.0 t -69.99 -68.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.275 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.68 30.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.525 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.747 ' HG ' HG23 ' A' ' 663' ' ' ILE . 0.4 OUTLIER -108.02 26.12 10.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 111.082 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 668' ' ' LEU . 15.0 m-85 -137.06 73.91 50.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . 0.43 ' HG3' ' CD2' ' A' ' 693' ' ' PHE . 60.7 Cg_endo -72.75 162.43 41.22 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.541 2.16 . . . . 0.0 112.405 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -109.07 178.12 4.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.32 -36.03 76.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.0 -31.16 50.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . 0.62 ' O ' HD12 ' A' ' 678' ' ' LEU . . . -64.79 -39.46 93.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 23.3 mt -73.92 -38.46 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -38.93 83.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 6.4 m -80.45 -30.83 37.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 674' ' ' ALA . 1.5 mt -76.68 -31.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -50.7 47.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.56 94.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.48 -56.05 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.08 -20.57 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 5.6 t0 66.11 31.85 8.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 13.4 mt -116.16 149.53 43.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.8 157.41 2.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.5 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.2 p90 -60.28 -35.61 75.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.791 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.445 ' N ' ' CD1' ' A' ' 687' ' ' TYR . 13.9 m -60.72 -35.93 77.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . 0.476 HG22 ' HD2' ' A' ' 693' ' ' PHE . 37.3 mt -73.47 -36.75 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.95 -42.94 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -65.02 -36.45 84.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.2 -58.8 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.803 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . 0.476 ' HD2' HG22 ' A' ' 689' ' ' ILE . 21.3 m-85 -56.22 -30.72 62.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -70.81 -32.73 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.95 -2.75 58.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.215 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -87.0 -20.82 26.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.704 0.288 . . . . 0.0 111.174 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -88.45 -51.61 5.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.132 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 699' ' ' TYR . 0.1 OUTLIER -56.51 -22.84 35.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.156 -179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . 0.443 ' N ' ' CD1' ' A' ' 698' ' ' TYR . 51.3 t80 -64.23 -35.08 79.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.79 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.99 41.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -164.4 -65.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -69.5 -31.14 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -117.27 79.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -60.47 -31.07 73.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.2 118.74 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.757 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 706' ' ' LEU . 0.2 OUTLIER -65.18 -45.67 83.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.1 mttt . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.794 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.818 0.342 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -99.15 32.95 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.33 39.62 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 -73.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.39 72.66 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -121.46 96.05 47.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . 0.423 ' HD2' HG22 ' A' ' 653' ' ' VAL . 42.2 Cg_endo -67.57 -177.14 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.353 2.036 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -69.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 650' ' ' LYS . 0.2 OUTLIER -146.48 -175.04 4.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.114 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' LYS . . . . . 0.457 ' H ' HG22 ' A' ' 649' ' ' THR . 7.6 mttm 63.43 117.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 655' ' ' ALA . 31.2 mt 63.79 125.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' SER . . . . . . . . . . . . . 17.7 t -67.81 162.92 22.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' VAL . . . . . 0.423 HG22 ' HD2' ' A' ' 647' ' ' PRO . 31.7 t -58.12 -44.19 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -63.42 -36.58 84.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 651' ' ' ILE . . . -67.47 -34.51 77.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.25 -36.74 82.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.36 95.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ILE . . . . . . . . . . . . . 42.3 mt -71.04 -41.78 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 692' ' ' PHE . 7.6 mp -64.87 -39.74 94.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 663' ' ' ILE . 9.1 mm100 -59.1 -43.65 91.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' SER . . . . . . . . . . . . . 4.4 m -61.46 -37.59 84.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -62.4 -35.22 78.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' ILE . . . . . 0.614 HG23 ' CD1' ' A' ' 668' ' ' LEU . 37.0 mt -70.21 -30.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -87.59 -30.45 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -67.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.42 -67.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 150.82 -154.16 25.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 663' ' ' ILE . 3.3 mm? -104.29 31.29 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -140.15 74.43 30.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.91 135.97 34.0 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.56 2.173 . . . . 0.0 112.238 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.31 -179.63 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.46 -50.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -30.07 71.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.04 74.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.49 -42.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.88 -52.91 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 15.7 m -59.53 -47.53 85.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.45 -41.17 98.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 6.3 t -73.82 -29.99 62.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . . . . . . . . . . . -81.15 -54.08 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.62 -30.67 67.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 659' ' ' LEU . 95.9 mt -95.23 -16.98 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.292 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.29 31.84 12.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 685' ' ' PRO . 0.4 OUTLIER -114.21 153.06 46.42 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.726 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 684' ' ' LEU . 71.6 Cg_exo -48.64 162.75 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.545 2.163 . . . . 0.0 112.543 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -75.76 -45.95 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.957 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 688' ' ' THR . 13.7 p90 -58.88 -31.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' THR . . . . . 0.462 HG21 HD22 ' A' ' 684' ' ' LEU . 11.6 m -64.0 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.17 -45.68 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.09 -35.74 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -69.17 -36.94 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.781 ' CD2' HD23 ' A' ' 659' ' ' LEU . 44.1 t80 -67.23 -49.63 63.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -63.94 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -80.67 -49.61 10.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -58.36 -30.25 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.57 -51.59 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.006 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -41.02 91.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' TYR . . . . . 0.475 ' CE2' ' CE1' ' A' ' 702' ' ' HIS . 0.1 OUTLIER -62.73 -58.99 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -49.43 -27.83 4.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.35 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.07 -23.53 41.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.225 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -130.81 40.41 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.321 . . . . 0.0 111.179 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' HIS . . . . . 0.475 ' CE1' ' CE2' ' A' ' 698' ' ' TYR . 21.9 m-70 -150.24 177.78 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' A' ' 702' ' ' HIS . 32.3 p80 46.05 -170.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.348 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' GLY . . . . . . . . . . . . . . . -139.65 -68.26 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -110.17 39.15 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.928 0.394 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.67 132.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 stop_ save_