data_2kv9_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 2kv9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.494 1.554 0 CA-C-O 120.794 0.247 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -62.11 -36.76 82.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.9 m -64.67 -42.0 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.06 -44.4 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.055 0.455 . . . . 0.0 110.522 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.68 -42.94 96.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.306 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 37.0 t90 -54.88 -38.93 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.92 -40.82 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.68 -38.04 86.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.47 -40.54 94.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.348 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.84 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 98.1 m -63.02 -45.83 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.735 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.85 -43.52 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.66 -34.32 75.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -68.7 -36.04 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.451 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -69.23 117.15 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.37 -29.4 69.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.59 -33.94 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.426 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . 0.498 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 64.8 t80 -60.71 -46.06 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.28 -37.94 87.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.88 -37.22 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . 0.498 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.3 mt-10 -58.42 -49.33 77.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.81 -35.21 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.82 -40.13 96.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.7 -43.7 97.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.07 93.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.645 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.539 0.209 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -46.65 -34.02 14.54 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.552 2.168 . . . . 0.0 112.413 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.69 -36.79 70.04 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.821 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -62.24 -46.05 90.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.598 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.68 -41.55 95.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.412 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.31 -40.65 82.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.11 90.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.7 m -63.07 -44.72 94.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -60.51 -35.25 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 82.4 m -63.43 -46.94 84.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.98 -41.36 91.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.7 m -55.19 -39.28 69.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.287 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.67 -49.66 67.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.95 -49.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.091 0.472 . . . . 0.0 110.932 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.861 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 N--CA 1.493 1.494 0 CA-C-O 120.81 0.254 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.589 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.57 -38.95 92.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' B' ' 713' ' ' LEU . 10.8 mp -62.77 -41.91 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -43.86 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.441 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -60.16 -42.75 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.98 -36.23 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.88 -40.8 96.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.266 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -41.24 95.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.361 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.68 -43.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.452 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.3 m -60.36 -48.16 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.614 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.37 -43.59 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.716 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.04 -34.7 76.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -69.11 -36.17 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.63 104.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.695 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.49 -35.0 79.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -58.22 -36.85 73.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . 0.523 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 85.4 t80 -60.83 -47.72 85.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.562 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.92 87.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.447 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.84 -42.51 99.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -59.76 -44.26 93.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.266 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . 0.523 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.2 mt-10 -61.09 -45.66 93.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.778 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.47 -41.94 92.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.56 -38.62 87.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.76 -42.61 99.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 110.412 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.17 94.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.95 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 120.996 0.427 . . . . 0.0 110.256 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 120.6 0.238 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -46.09 -35.46 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.694 2.263 . . . . 0.0 112.527 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.81 -31.86 72.12 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.441 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.87 -46.26 90.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.678 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -42.27 97.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.383 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.98 -39.43 89.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.0 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.534 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 80.8 m -62.42 -44.99 95.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.693 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 38.7 t -61.55 -36.44 80.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.5 m -63.26 -44.37 95.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.658 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.95 -37.1 75.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.434 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -57.59 -42.12 82.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -64.72 -47.28 78.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.7 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.93 -48.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.495 1.606 0 CA-C-O 120.739 0.224 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.57 -41.88 96.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.7 -38.49 91.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.53 -44.06 97.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.961 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.09 -44.34 99.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.447 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.4 -45.16 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.39 -35.86 81.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.412 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.165 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.39 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.669 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.44 -43.88 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.139 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -62.58 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.65 -43.14 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -59.26 -29.71 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.14 -9.1 57.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -76.67 138.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -71.69 -35.67 70.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.641 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.85 -39.21 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.01 -44.41 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.04 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.57 -43.27 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.685 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.75 -43.48 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -57.52 -43.21 84.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.23 -41.38 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.35 -34.55 78.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.59 -44.18 96.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.75 92.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.737 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 -19.67 54.41 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.378 2.052 . . . . 0.0 112.215 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -67.97 -33.92 75.57 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.82 -46.8 87.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 111.438 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . 0.441 ' O ' ' OG1' ' B' ' 751' ' ' THR . 12.6 pttm -65.35 -35.08 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.208 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.711 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.06 90.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.759 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 751' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 31.9 p -66.06 -35.43 80.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.723 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 752' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 755' ' ' THR . 11.6 t -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.1 m -64.11 -46.3 84.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.749 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.37 -43.72 96.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 755' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 752' ' ' SER . 23.5 p -57.06 -34.47 68.28 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -67.43 -48.69 66.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.707 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.16 -48.49 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 111.152 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.155 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' B' ' 713' ' ' LEU . 41.6 Cg_endo . . . . . 0 N--CA 1.491 1.378 0 CA-C-O 120.811 0.255 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -43.73 -29.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 89.2 m -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 710' ' ' PRO . 48.3 tp -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 2.2 mp -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -57.08 -43.71 82.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.412 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -61.79 -38.1 86.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.35 -40.19 89.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.395 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -42.35 98.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 0.0 110.465 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.25 -44.28 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.322 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.8 m -61.64 -44.92 96.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -43.4 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.454 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -65.89 -28.24 68.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.19 -16.68 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -81.08 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -65.47 -36.96 85.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.0 -35.47 71.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.477 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -61.23 -45.16 95.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.332 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.19 83.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.85 -43.39 98.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.763 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -61.35 -41.66 97.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.44 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.29 -40.96 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.1 -42.59 99.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.99 -34.34 77.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.095 0.474 . . . . 0.0 110.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -67.1 -43.1 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.446 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -68.13 -49.13 63.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.398 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 120.598 0.237 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.38 -27.35 40.28 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.593 2.195 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.15 -33.74 75.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.396 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.69 -46.02 91.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.721 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -62.91 -41.69 99.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -58.6 -40.52 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.489 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.41 89.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.519 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 18.9 m -61.59 -44.2 97.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.5 t -59.14 -40.27 84.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -63.3 -45.0 93.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.18 -40.71 86.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.2 m -55.77 -38.92 70.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -66.2 -48.98 68.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.2 mt -66.53 -50.14 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.019 0.437 . . . . 0.0 110.874 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 121.05 0.354 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.74 -35.23 72.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.391 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.7 m -60.08 -41.36 92.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.17 -42.73 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.414 HD13 HG22 ' B' ' 714' ' ' ILE . 93.8 mt -63.01 -44.35 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.38 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -64.7 -45.64 85.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -62.98 -38.15 90.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.32 -42.64 91.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.064 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.87 -42.07 97.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.82 -43.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.331 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.1 m -60.71 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.43 -44.0 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.22 -33.22 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -19.0 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.692 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.26 126.77 35.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.493 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.14 -20.94 54.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -62.96 -35.49 80.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.327 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . 0.487 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 63.1 t80 -60.63 -46.97 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.77 83.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -43.67 94.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.669 0.271 . . . . 0.0 110.396 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.05 -43.77 98.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.261 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . 0.487 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 96.4 mt-10 -59.05 -46.81 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.754 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.73 -42.16 98.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.46 -36.58 81.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -60.7 -44.0 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.31 98.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.729 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.649 0.261 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.05 -18.83 46.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.608 2.205 . . . . 0.0 112.412 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.62 -25.63 38.27 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.62 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -64.99 -47.95 75.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.61 -36.16 81.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.24 -37.57 87.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.84 99.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 32.9 p -67.5 -35.94 80.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.1 t -60.82 -41.23 95.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.7 m -63.1 -45.31 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.624 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.37 -40.63 87.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.3 m -55.67 -39.94 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.388 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.75 -46.14 83.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.779 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.04 -49.45 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.11 0.481 . . . . 0.0 111.262 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 N--CA 1.496 1.661 0 CA-C-O 120.783 0.243 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.07 -33.9 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.2 m -64.15 -38.87 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -44.63 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -61.52 -48.95 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.92 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.85 -40.04 91.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -37.69 86.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.426 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.15 -43.88 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.247 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.7 m -63.27 -45.07 93.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.794 0.33 . . . . 0.0 110.656 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.58 -41.95 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.309 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -57.22 -28.64 63.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 55.1 t0 -71.48 -9.06 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -81.64 146.56 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -75.02 -24.75 58.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.492 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.87 -40.8 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.41 -44.66 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.497 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.14 -42.55 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.66 -43.76 97.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.274 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -57.89 -43.45 86.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.75 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -37.49 86.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.506 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -61.33 -44.3 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.92 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.665 179.653 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.443 0.163 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -45.83 -34.09 11.62 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.655 2.237 . . . . 0.0 112.159 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 62.5 mt -56.42 -34.09 66.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.118 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.75 -46.08 91.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -65.53 -40.79 93.32 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.1 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -57.44 -32.52 66.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.45 81.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.604 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 21.9 p -67.09 -36.01 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.712 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 36.7 t -59.28 -31.25 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.2 m -62.65 -45.11 94.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.23 -40.01 84.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.6 m -55.72 -42.77 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.271 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.57 -47.88 79.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.64 -46.74 88.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.179 0.514 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.011 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo . . . . . 0 N--CA 1.492 1.415 0 CA-C-O 121.078 0.366 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 711' ' ' GLU . 58.5 mp0 -69.24 -32.76 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.524 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 75.1 m -60.43 -44.7 95.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.16 -42.51 96.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.821 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.67 -43.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -63.55 -48.83 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.12 -36.23 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.86 -41.01 95.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.377 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.33 -41.46 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.26 -43.97 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.1 m -61.49 -45.4 94.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.37 -43.75 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.33 -33.34 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.7 t0 -68.8 -35.9 77.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -67.32 131.27 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -77.14 -19.27 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.677 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -57.84 -45.4 86.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.36 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -63.98 -44.47 92.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.646 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.42 -43.9 96.29 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.9 -45.31 95.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.5 -46.41 90.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . 0.404 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -64.96 -39.04 92.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.03 -35.17 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -62.25 -41.63 98.6 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.39 88.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . 0.404 HH12 ' HB3' ' B' ' 732' ' ' GLU . 84.5 mtt85 . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 120.713 0.292 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.56 -23.55 49.76 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.506 2.137 . . . . 0.0 112.501 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.13 -26.39 56.3 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -62.82 -49.02 76.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.962 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.51 -34.35 75.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . 0.423 ' O ' ' OG ' ' B' ' 752' ' ' SER . 44.6 tp10 -60.66 -32.91 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.557 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.54 82.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 40.8 p -67.13 -38.47 85.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 752' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 749' ' ' GLU . 95.8 p -62.38 -31.01 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.1 m -63.26 -45.59 90.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.723 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.32 -40.56 86.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.6 m -56.5 -39.96 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.32 -46.41 83.66 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.752 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -69.97 -48.13 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 111.123 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.369 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.495 1.561 0 CA-C-O 120.849 0.27 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.37 -38.94 88.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.615 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.53 -39.26 93.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.473 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.54 -42.3 99.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.219 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -56.17 -40.8 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.03 -35.06 78.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.379 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -43.35 96.11 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.415 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.04 -40.11 96.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.14 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.54 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.014 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.0 m -61.14 -43.57 98.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.41 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.283 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.79 -26.77 67.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.854 0.359 . . . . 0.0 110.63 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -72.65 -7.57 51.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -84.29 134.34 34.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -64.97 -39.52 93.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.36 -45.52 88.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.612 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -68.28 -38.18 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.646 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.67 89.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -39.91 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -66.75 -38.73 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.685 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -59.02 -49.12 79.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.87 -38.32 86.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.962 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.74 -35.65 80.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.56 -44.97 95.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.46 87.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.486 0.184 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.13 -31.21 45.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.649 2.233 . . . . 0.0 112.565 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -32.04 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -62.9 -45.84 90.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.685 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -63.72 -43.33 96.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.26 -39.35 86.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.97 82.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.485 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.5 m -61.02 -45.41 94.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.424 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 74.8 m -60.12 -37.96 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 96.6 m -63.54 -44.48 94.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 36.5 t80 -58.98 -43.28 91.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.44 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.8 m -61.32 -36.16 79.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.89 0.376 . . . . 0.0 110.741 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -60.92 -43.05 99.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.99 -46.72 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.663 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 758' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 99.8 m . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo . . . . . 0 N--CA 1.494 1.549 0 CA-C-O 120.958 0.316 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.92 -33.18 75.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.02 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.622 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.12 -41.66 97.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.671 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.57 -43.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.416 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.03 -43.86 91.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -61.29 -40.74 95.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.25 -37.54 85.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.276 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.91 -46.63 96.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.6 m -62.27 -45.01 95.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.85 -43.53 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -60.55 -36.78 79.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.476 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -70.52 -18.6 62.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -91.69 105.04 17.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.55 -36.66 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.6 -40.71 83.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -62.61 -43.56 98.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.302 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.33 72.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.449 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.42 -43.02 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -62.11 -42.16 98.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.346 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.19 -43.01 82.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.25 -42.37 98.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.15 -39.35 89.74 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.35 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -70.14 -41.64 73.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.54 -26.02 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.248 -179.423 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.484 0.183 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.47 -35.07 11.65 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.692 2.261 . . . . 0.0 112.414 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 746' ' ' LEU . 10.8 mp -61.2 -32.46 72.21 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -60.89 -46.04 92.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.93 -41.58 95.42 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.048 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' B' ' 752' ' ' SER . 43.8 tp10 -59.31 -39.42 82.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.03 87.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 89.4 m -60.56 -42.94 97.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 752' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 749' ' ' GLU . 91.1 p -55.53 -41.0 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.381 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.8 m -64.74 -45.18 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.539 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . 0.57 ' O ' ' N ' ' B' ' 758' ' ' THR . 41.9 m-85 -63.44 -35.21 79.69 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.356 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.4 m -58.74 -40.8 84.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.978 0.418 . . . . 0.0 110.715 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.36 -42.63 99.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 1.3 mt -89.32 -50.5 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 758' ' ' THR . . . . . 0.57 ' N ' ' O ' ' B' ' 754' ' ' PHE . 29.6 m . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.525 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 N--CA 1.493 1.481 0 CA-C-O 120.971 0.321 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' B' ' 711' ' ' GLU . 1.6 pm0 -54.78 -26.03 31.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.1 m -65.64 -43.63 88.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.498 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -45.66 91.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.206 0.527 . . . . 0.0 110.356 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.22 -43.58 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -57.42 -41.14 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.34 -38.82 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -38.38 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.98 -41.36 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.52 -46.83 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.9 m -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.23 -43.95 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.33 -27.67 69.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.4 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.95 -9.03 57.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.84 127.84 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -66.26 -36.03 81.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.51 -46.06 87.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.568 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -68.6 -38.67 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.706 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.83 86.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.463 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.32 -45.08 94.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.542 0.21 . . . . 0.0 110.659 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.52 -44.51 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.442 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.11 -46.41 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -64.32 -36.17 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -65.56 -37.79 87.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -61.84 -44.01 97.69 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.19 86.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 120.547 0.213 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.74 -23.21 56.18 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.638 2.225 . . . . 0.0 112.304 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -64.25 -33.76 76.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.404 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . 0.405 ' O ' ' OG1' ' B' ' 751' ' ' THR . 61.1 t80 -76.95 -42.63 38.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.631 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -64.38 -49.8 70.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 750' ' ' ALA . 2.0 pp20? -63.18 -36.81 84.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.127 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' B' ' 749' ' ' GLU . . . -68.01 -38.06 82.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.508 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 751' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 747' ' ' TYR . 17.6 m -62.36 -44.25 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.529 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 89.6 p -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 16.2 m -63.29 -44.83 93.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.81 -40.91 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.9 m -55.78 -40.26 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.182 0.515 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.89 -47.29 78.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.4 -49.6 64.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.025 0.441 . . . . 0.0 110.914 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.495 1.602 0 CA-C-O 120.98 0.325 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.14 -34.77 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.418 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 97.4 m -62.84 -42.94 99.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.581 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.34 -43.76 96.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.63 -43.52 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -61.67 -42.6 99.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.76 -37.38 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -41.29 97.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.82 -39.18 93.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.619 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.5 -44.48 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.249 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 22.6 m -62.68 -48.82 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.19 -43.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.68 -35.95 79.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.23 -35.23 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.29 98.17 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.59 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.97 -31.69 72.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.92 -32.54 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -59.12 -46.29 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.65 99.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.33 -40.44 96.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.35 -41.34 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.4 -50.07 74.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.69 -38.55 83.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . 0.492 ' CG ' HH21 ' B' ' 736' ' ' ARG . 92.7 mt-10 -66.93 -38.43 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -60.85 -44.42 97.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.525 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.73 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . 0.492 HH21 ' CG ' ' B' ' 733' ' ' GLU . 84.7 mtm180 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.735 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.468 0.175 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -47.37 -34.79 19.73 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.36 -34.01 60.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.309 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.3 -46.43 88.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.35 92.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.55 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.62 -39.0 79.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.523 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.7 88.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.44 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.6 m -63.58 -45.7 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 752' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' B' ' 755' ' ' THR . 38.4 m -63.91 -31.52 72.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.0 m -62.73 -43.77 97.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . 0.498 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 46.3 t80 -58.84 -43.37 90.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 755' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 752' ' ' SER . 22.2 p -65.02 -34.18 77.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -62.14 -42.43 99.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -50.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.071 0.462 . . . . 0.0 110.294 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 758' ' ' THR . . . . . 0.498 ' OG1' ' CE1' ' B' ' 754' ' ' PHE . 11.7 m . . . . . 0 C--N 1.316 -0.874 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.57 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.495 1.583 0 CA-C-O 120.756 0.232 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.71 -35.76 78.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.466 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 16.8 m -63.35 -46.09 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.73 -43.83 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -59.65 -41.28 90.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.451 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -59.58 -41.67 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.644 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -37.9 86.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.54 -41.36 94.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.16 -46.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.5 m -59.89 -47.53 85.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.79 -43.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.44 -31.95 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -70.63 -17.69 62.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -87.02 141.25 28.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.479 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.05 -23.75 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.86 -35.78 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.6 -43.47 97.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.71 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.92 -42.91 99.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.325 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.98 -42.15 79.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.1 -37.17 85.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -61.88 -37.13 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -69.27 -41.69 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.555 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.08 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.708 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 110.578 -179.215 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.2 m120 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.545 0.212 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.77 -20.43 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.767 2.312 . . . . 0.0 112.411 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' B' ' 746' ' ' LEU . 11.0 mp -68.72 -31.41 70.46 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.357 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.63 -48.33 81.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' B' ' 751' ' ' THR . 16.8 ptpt -67.49 -33.71 75.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.871 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.2 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.563 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.6 87.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 751' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 63.1 p -65.09 -36.19 83.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.577 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 39.5 t -61.3 -39.36 90.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -62.98 -43.56 98.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' B' ' 758' ' ' THR . 56.5 t80 -58.29 -43.38 88.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -60.34 -40.3 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.1 -53.58 56.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -43.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 758' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' B' ' 754' ' ' PHE . 69.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.498 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.95 0.312 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' B' ' 713' ' ' LEU . 23.8 p -59.49 -48.81 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.469 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . 0.591 ' N ' ' SG ' ' B' ' 712' ' ' CYS . 12.0 mt -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.823 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -43.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.358 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -60.32 -43.58 96.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.51 -35.91 77.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.518 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -40.96 98.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.47 -40.46 91.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.208 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 -43.51 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.7 m -60.64 -43.0 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.478 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . 0.409 HD12 HG22 ' B' ' 721' ' ' ILE . 97.3 mt -63.19 -43.32 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.56 -35.06 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -69.44 -35.08 75.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -76.51 100.92 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -63.64 -32.7 74.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' B' ' 726' ' ' GLU . 56.1 mp0 -58.2 -37.26 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.462 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.02 -41.15 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.449 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.53 84.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.504 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.23 -40.58 94.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.08 -41.32 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.712 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.72 -49.38 76.73 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.28 -37.32 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -66.7 -37.23 84.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.55 84.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.79 179.751 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.642 0.258 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.88 -23.83 47.06 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.653 2.235 . . . . 0.0 112.763 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.1 -35.13 77.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -61.12 -46.54 90.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.631 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.69 -42.32 95.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.09 -37.47 87.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.24 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.7 m -60.89 -44.74 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -33.44 70.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 10.5 m -62.83 -37.99 88.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -39.34 75.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.7 m -57.07 -38.94 74.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.318 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -67.62 -49.54 62.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.78 -49.45 80.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.288 0.566 . . . . 0.0 110.944 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.367 -179.698 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 N--CA 1.497 1.679 0 CA-C-O 120.915 0.298 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.43 -38.65 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.31 -40.59 97.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.531 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.63 -43.16 99.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.8 -43.54 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -58.64 -46.27 87.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.447 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.59 -35.99 79.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.87 -40.59 95.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.044 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.16 -42.39 98.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.6 mt -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.9 m -62.13 -46.04 90.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . 0.406 HD13 HG22 ' B' ' 721' ' ' ILE . 97.2 mt -63.77 -44.07 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -61.33 -30.59 70.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.37 -33.85 73.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.622 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -68.34 131.53 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -77.38 -22.61 51.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.15 -44.54 94.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -66.05 -39.54 90.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.591 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.59 88.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -61.2 -45.44 94.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.451 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.19 -47.99 83.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.11 -40.34 95.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.657 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.25 -35.89 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -62.63 -41.05 98.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.418 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.85 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.294 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.03 0.443 . . . . 0.0 110.048 -179.626 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -44.24 -32.93 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.916 2.411 . . . . 0.0 112.194 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.01 -34.39 74.73 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.992 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -63.47 -45.8 89.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' B' ' 751' ' ' THR . 42.8 tttt -65.04 -39.47 93.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.072 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.71 -38.68 82.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.66 96.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.62 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 751' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 35.2 p -66.94 -36.39 82.11 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.555 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.3 t -61.6 -41.13 97.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.2 m -63.03 -45.78 90.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.789 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 54.3 t80 -57.7 -39.92 78.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.9 m -57.04 -42.49 80.58 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.298 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -68.45 -52.28 34.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.3 -45.62 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 110.577 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 758' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 44.6 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.234 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo . . . . . 0 N--CA 1.495 1.576 0 CA-C-O 120.781 0.242 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.36 -39.33 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.669 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.3 -38.74 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.22 -40.99 99.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.34 -43.77 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -59.87 -45.57 92.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.98 -38.87 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.98 -41.15 97.7 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.23 -42.74 81.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.373 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.47 -41.44 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -56.33 -35.72 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.47 -44.15 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.59 -39.55 84.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 67.1 t0 -68.89 -35.84 77.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -83.04 103.4 12.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.007 0.432 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.15 -33.43 75.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.671 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.14 -44.29 87.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.47 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -63.16 -43.6 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.67 91.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.56 -43.94 97.94 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.71 -44.47 96.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -45.15 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.95 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.94 -37.3 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.706 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.54 -43.52 98.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.91 81.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 179.782 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -45.21 -33.51 8.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.15 -35.37 73.39 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.68 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.43 -46.18 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.97 -40.72 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.396 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.46 -39.99 89.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.599 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.44 86.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.1 m -61.38 -41.81 97.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.607 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.6 t -57.98 -42.49 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.5 m -64.14 -46.35 84.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.798 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -62.06 -34.7 76.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.149 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 13.8 m -58.41 -42.19 86.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.459 . . . . 0.0 110.045 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.8 -44.97 91.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.242 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.51 -46.1 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.506 0.67 . . . . 0.0 111.287 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.249 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.785 0.244 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.68 -33.68 71.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -41.75 95.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.531 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.59 -41.78 99.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.17 -43.57 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -57.93 -45.16 87.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.65 -38.41 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.22 -39.07 81.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.94 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.48 -38.65 88.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.263 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.409 HG22 HD13 ' B' ' 719' ' ' ILE . 32.1 mm -60.55 -43.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -62.58 -45.23 93.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.548 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.98 -43.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.448 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.96 -19.92 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -85.85 151.03 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -68.53 -20.29 64.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.41 -34.37 70.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.73 -45.39 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.15 -44.64 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -61.6 -42.64 99.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -57.13 -44.68 83.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.26 -39.77 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.443 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.63 -36.71 78.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.07 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.98 89.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.496 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.674 179.633 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.88 -29.01 50.32 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.657 2.238 . . . . 0.0 113.071 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -37.55 84.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.273 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -67.67 -44.29 78.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.27 -40.73 97.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.269 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.3 -43.17 92.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.76 98.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 83.7 m -63.73 -44.58 93.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -60.84 -34.1 74.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.1 m -63.53 -45.17 91.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -59.38 -43.13 92.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.4 m -61.35 -36.34 79.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.61 -47.64 74.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 18.3 pt -70.18 -42.32 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 N--CA 1.494 1.54 0 CA-C-O 120.936 0.307 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.81 -33.68 76.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.8 -41.66 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.48 -43.85 96.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.381 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -63.47 -47.85 80.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.13 -36.01 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.15 -40.22 95.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.43 -41.54 97.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.724 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.271 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.89 -43.5 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.41 -37.0 81.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -69.59 -34.17 73.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' B' ' 726' ' ' GLU . 80.1 mtp85 -74.54 123.7 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.486 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.32 -19.33 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.712 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' B' ' 724' ' ' ARG . 96.1 mt-10 -57.6 -43.28 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -66.4 -39.1 88.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.48 82.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.468 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.36 -43.18 98.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.93 -43.21 98.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.16 -43.85 82.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.768 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.3 -39.45 94.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -35.8 82.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.31 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.07 81.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.591 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.852 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 744' ' ' ASN . 48.9 p-10 . . . . . 0 CA--C 1.538 0.483 0 CA-C-O 120.458 0.17 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.31 -34.12 17.91 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.566 2.177 . . . . 0.0 112.4 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.12 -34.4 74.92 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.19 -45.99 90.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.123 0.487 . . . . 0.0 110.702 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.49 -41.56 98.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.525 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.38 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.16 77.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 30.4 p -67.09 -36.06 81.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 15.7 m -59.66 -35.25 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.7 m -63.11 -45.63 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.836 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . 0.522 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 63.1 t80 -57.56 -39.3 76.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.9 m -58.18 -43.17 87.39 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -67.85 -51.99 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.64 -45.46 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.38 0.61 . . . . 0.0 110.386 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 758' ' ' THR . . . . . 0.522 ' OG1' ' CE1' ' B' ' 754' ' ' PHE . 19.2 m . . . . . 0 C--N 1.316 -0.871 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.072 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.858 0.274 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.69 -39.34 88.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.65 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.06 -44.0 97.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.69 -43.72 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -60.62 -41.93 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -64.34 -36.76 85.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.314 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.18 -41.92 97.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.155 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.97 -41.14 97.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.434 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.5 -43.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.138 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.3 m -61.71 -45.13 95.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.22 -43.46 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -63.06 -34.5 77.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.509 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.4 -19.32 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -84.68 138.7 32.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.96 0.409 . . . . 0.0 110.554 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -76.63 -21.09 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.31 -40.47 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.342 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.77 -46.77 89.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.603 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.04 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -63.17 -44.09 96.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.703 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.2 -45.41 94.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.37 -48.53 81.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.517 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -65.35 -35.84 82.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -47.81 84.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.132 0.492 . . . . 0.0 110.353 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.96 96.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.672 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -45.64 -35.43 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.599 2.199 . . . . 0.0 112.558 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -63.04 -35.76 81.3 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.252 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.72 -43.4 96.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.715 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.7 mttm -60.84 -38.84 86.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.227 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -57.65 -32.47 67.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.31 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 751' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 72.0 p -62.7 -34.23 76.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 42.4 t -56.78 -43.1 80.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.225 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 98.6 m -64.15 -45.78 86.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 758' ' ' THR . 51.9 m-85 -64.81 -36.1 83.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.384 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.3 m -57.26 -40.23 77.25 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.564 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -63.08 -43.83 97.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.19 -51.1 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.327 0.584 . . . . 0.0 110.798 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 758' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 754' ' ' PHE . 32.7 m . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.33 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo . . . . . 0 N--CA 1.494 1.504 0 CA-C-O 120.891 0.288 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.71 -29.8 54.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.509 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 71.3 m -61.59 -46.5 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' B' ' 713' ' ' LEU . 4.0 mm? -64.02 -42.69 97.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.71 -44.52 98.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.178 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -57.74 -38.88 76.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.97 -42.62 94.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.275 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' B' ' 718' ' ' LEU . 4.1 mm? -62.3 -41.7 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.74 -43.45 97.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.329 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.2 m -60.9 -45.07 96.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . 0.416 HG23 HD12 ' B' ' 721' ' ' ILE . 97.3 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.424 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.12 -35.97 76.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.28 -18.84 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.623 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -85.79 145.99 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -64.87 -22.53 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.25 -34.65 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . 0.409 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 78.5 t80 -60.38 -46.09 91.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.27 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.071 0.462 . . . . 0.0 110.505 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.16 -43.01 99.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.171 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . 0.409 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 70.3 mt-10 -56.84 -37.37 71.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.325 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . 0.436 ' C ' ' HE ' ' B' ' 736' ' ' ARG . 94.2 mt-10 -63.08 -36.31 83.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' B' ' 736' ' ' ARG . 80.6 mm-40 -67.87 -34.73 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.28 -47.22 86.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.753 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.23 -43.7 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.924 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' B' ' 733' ' ' GLU . 86.9 mtm180 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.256 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 747' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.873 0.368 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.28 -44.37 29.32 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.265 1.977 . . . . 0.0 113.085 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' B' ' 746' ' ' LEU . 10.2 mp -62.62 -27.39 69.18 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.343 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 50.7 t80 -65.77 -45.45 82.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.095 0.474 . . . . 0.0 110.686 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.33 -39.81 94.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.86 -32.63 74.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.782 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.17 -51.87 67.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 2.0 t -68.86 -37.18 78.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.686 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 16.1 m -57.28 -34.99 69.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.55 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.4 m -63.65 -44.75 92.9 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.93 -42.74 85.48 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.158 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.1 m -62.08 -36.16 80.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -65.32 -46.73 79.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.564 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.87 -48.66 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 111.084 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.41 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 N--CA 1.494 1.531 0 CA-C-O 120.963 0.318 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -50.89 -24.2 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.97 -46.0 75.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.045 0.45 . . . . 0.0 110.718 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' B' ' 713' ' ' LEU . 4.0 mm? -63.62 -42.84 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.23 -43.06 95.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.029 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -55.48 -39.29 70.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -58.86 -42.58 89.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.32 -39.35 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.3 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.02 -40.12 92.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.125 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.5 -44.01 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.3 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.0 m -62.83 -45.95 90.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.651 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.43 -43.61 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.375 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.85 -34.17 75.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.68 -34.74 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.16 118.22 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.15 -33.12 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 727' ' ' PHE . . . . . 0.53 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 80.2 t80 -60.86 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.72 94.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.55 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.1 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -59.8 -45.82 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.29 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 731' ' ' GLU . . . . . 0.53 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 97.0 mt-10 -63.5 -47.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.87 -35.38 80.93 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.79 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.477 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.35 95.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.552 0.215 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.88 -22.7 55.8 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.533 2.155 . . . . 0.0 112.627 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 746' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.2 mm? -63.11 -37.83 88.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.16 -45.47 91.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 748' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.2 mttm -61.69 -40.64 95.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.99 -36.72 84.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.56 94.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 751' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 25.0 p -66.53 -34.93 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 752' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' B' ' 755' ' ' THR . 6.4 t -57.71 -43.02 84.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.319 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.0 m -65.31 -49.19 70.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -61.56 -38.83 88.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 755' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 752' ' ' SER . 17.6 p -61.79 -34.67 76.32 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.004 0.431 . . . . 0.0 110.361 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.39 -45.91 78.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.01 -47.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-O 121.326 0.584 . . . . 0.0 111.356 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.163 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.489 ' OG ' ' SG ' ' B' ' 712' ' ' CYS . 38.0 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.07 -30.71 79.94 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.91 2.407 . . . . 0.0 111.946 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -62.11 -36.76 82.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . 0.489 ' SG ' ' OG ' ' B' ' 709' ' ' SER . 85.9 m -64.67 -42.0 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.411 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.06 -44.4 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.055 0.455 . . . . 0.0 110.522 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.68 -42.94 96.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.306 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 37.0 t90 -54.88 -38.93 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.92 -40.82 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.68 -38.04 86.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.47 -40.54 94.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.348 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.84 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 98.1 m -63.02 -45.83 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.735 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.85 -43.52 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.66 -34.32 75.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -68.7 -36.04 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.451 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -69.23 117.15 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.37 -29.4 69.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.59 -33.94 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.426 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.498 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 64.8 t80 -60.71 -46.06 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.28 -37.94 87.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.88 -37.22 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . 0.498 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.3 mt-10 -58.42 -49.33 77.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.81 -35.21 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.82 -40.13 96.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.7 -43.7 97.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.07 93.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -65.32 -40.39 93.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -79.62 15.18 1.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.621 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -85.96 16.07 4.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.943 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -73.92 -32.33 63.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.23 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.02 160.3 24.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.261 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 18.2 p -83.9 -23.48 31.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.69 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.37 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -93.97 -1.17 55.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -83.18 146.53 51.51 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -46.65 -34.02 14.54 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.552 2.168 . . . . 0.0 112.413 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.69 -36.79 70.04 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.821 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -62.24 -46.05 90.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.598 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.68 -41.55 95.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.412 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.31 -40.65 82.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.11 90.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.7 m -63.07 -44.72 94.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -60.51 -35.25 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 82.4 m -63.43 -46.94 84.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.98 -41.36 91.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.7 m -55.19 -39.28 69.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.287 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.67 -49.66 67.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.95 -49.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.091 0.472 . . . . 0.0 110.932 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -10.85 22.89 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.281 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -159.12 77.52 0.73 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.727 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -82.54 -126.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.41 93.55 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.568 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.96 -20.19 51.34 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.813 2.342 . . . . 0.0 111.947 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.589 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.57 -38.95 92.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' B' ' 713' ' ' LEU . 10.8 mp -62.77 -41.91 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -43.86 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.441 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -60.16 -42.75 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.98 -36.23 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.88 -40.8 96.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.266 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -41.24 95.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.361 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.68 -43.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.452 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.3 m -60.36 -48.16 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.614 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.37 -43.59 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.716 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.04 -34.7 76.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -69.11 -36.17 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.63 104.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.695 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.49 -35.0 79.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -58.22 -36.85 73.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.523 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 85.4 t80 -60.83 -47.72 85.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.562 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.92 87.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.447 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.84 -42.51 99.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -59.76 -44.26 93.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.266 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . 0.523 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.2 mt-10 -61.09 -45.66 93.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.778 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.47 -41.94 92.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.56 -38.62 87.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.76 -42.61 99.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 110.412 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.17 94.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.95 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.569 ' O ' ' CE2' ' B' ' 739' ' ' TRP . 4.7 ptt-85 -69.39 -34.96 75.3 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.996 0.427 . . . . 0.0 110.256 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -97.72 33.66 2.03 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.477 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 27.5 ttpt -88.21 15.71 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.852 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.569 ' CE2' ' O ' ' B' ' 736' ' ' ARG . 1.7 p90 -147.68 -36.35 0.21 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.568 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 741' ' ' THR . 38.9 t0 -49.48 -178.58 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.08 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.524 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 4.9 t -55.61 -13.54 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -58.64 -24.91 62.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 5.2 m120 -89.13 -2.12 58.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.194 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -75.55 134.76 72.54 Favored Pre-proline 0 N--CA 1.447 -0.59 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -46.09 -35.46 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.694 2.263 . . . . 0.0 112.527 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.81 -31.86 72.12 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.441 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.87 -46.26 90.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.678 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -42.27 97.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.383 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.98 -39.43 89.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.0 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.534 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 80.8 m -62.42 -44.99 95.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.693 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 38.7 t -61.55 -36.44 80.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.5 m -63.26 -44.37 95.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.658 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.95 -37.1 75.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.434 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -57.59 -42.12 82.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 759' ' ' TYR . 23.3 t-20 -64.72 -47.28 78.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.7 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.93 -48.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -15.24 63.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.418 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' B' ' 756' ' ' ASN . 71.7 t80 -155.8 117.91 4.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.794 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' B' ' 760' ' ' ARG . 13.6 ttp85 -137.34 39.81 2.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.659 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.52 68.52 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.553 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.05 -37.92 79.7 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.764 2.309 . . . . 0.0 112.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.57 -41.88 96.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.7 -38.49 91.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.53 -44.06 97.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.961 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.09 -44.34 99.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.447 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.4 -45.16 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.39 -35.86 81.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.412 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.165 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.39 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.669 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.44 -43.88 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.139 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -62.58 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.65 -43.14 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -59.26 -29.71 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.14 -9.1 57.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -76.67 138.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -71.69 -35.67 70.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.641 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.85 -39.21 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.01 -44.41 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.04 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.57 -43.27 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.685 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.75 -43.48 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -57.52 -43.21 84.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.23 -41.38 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.35 -34.55 78.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.59 -44.18 96.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.75 92.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' B' ' 738' ' ' LYS . 17.0 mmm180 -65.18 -38.34 90.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -72.86 13.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.524 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' B' ' 736' ' ' ARG . 71.9 tttt -93.29 20.79 6.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -129.29 19.1 5.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.97 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' B' ' 742' ' ' ALA . 97.0 m-20 -80.06 -178.92 6.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.118 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 18.1 p -50.61 -15.34 0.26 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' B' ' 740' ' ' ASP . . . -59.75 -24.53 64.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.745 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 4.8 m120 -89.88 -9.48 48.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.98 145.43 65.67 Favored Pre-proline 0 N--CA 1.454 -0.252 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.448 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 -19.67 54.41 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.378 2.052 . . . . 0.0 112.215 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -67.97 -33.92 75.57 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.82 -46.8 87.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 111.438 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.441 ' O ' ' OG1' ' B' ' 751' ' ' THR . 12.6 pttm -65.35 -35.08 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.208 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.711 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.06 90.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.759 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 31.9 p -66.06 -35.43 80.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.723 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 755' ' ' THR . 11.6 t -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.1 m -64.11 -46.3 84.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.749 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.37 -43.72 96.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 752' ' ' SER . 23.5 p -57.06 -34.47 68.28 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -67.43 -48.69 66.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.707 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.16 -48.49 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 111.152 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -11.31 4.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.155 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.483 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 88.4 t80 -111.12 70.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.819 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -139.22 102.35 4.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 84.6 11.86 76.48 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.5 179.819 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.437 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 76.5 p . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' B' ' 709' ' ' SER . 41.6 Cg_endo -67.26 144.24 67.63 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.743 2.295 . . . . 0.0 112.136 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -43.73 -29.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 89.2 m -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 710' ' ' PRO . 48.3 tp -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 2.2 mp -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -57.08 -43.71 82.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.412 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -61.79 -38.1 86.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.35 -40.19 89.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.395 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -42.35 98.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 0.0 110.465 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.25 -44.28 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.322 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.8 m -61.64 -44.92 96.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -43.4 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.454 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -65.89 -28.24 68.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.19 -16.68 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -81.08 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -65.47 -36.96 85.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.0 -35.47 71.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.477 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -61.23 -45.16 95.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.332 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.19 83.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.85 -43.39 98.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.763 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -61.35 -41.66 97.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.44 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.29 -40.96 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.1 -42.59 99.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.99 -34.34 77.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.095 0.474 . . . . 0.0 110.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -67.1 -43.1 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.446 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -68.13 -49.13 63.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -66.52 -34.79 78.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.398 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -105.2 43.44 1.11 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.087 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -78.02 15.81 0.84 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.447 ' H ' ' C ' ' B' ' 737' ' ' ALA . 3.8 m-90 -91.25 45.86 1.27 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.525 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' B' ' 741' ' ' THR . 44.5 t0 -118.87 -177.23 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.418 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.544 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 15.5 m -45.57 -16.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.345 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -61.77 -27.15 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.581 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -84.02 -15.79 46.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -70.96 144.89 90.93 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.38 -27.35 40.28 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.593 2.195 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.15 -33.74 75.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.396 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.69 -46.02 91.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.721 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -62.91 -41.69 99.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -58.6 -40.52 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.489 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.41 89.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.519 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 18.9 m -61.59 -44.2 97.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.5 t -59.14 -40.27 84.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -63.3 -45.0 93.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.18 -40.71 86.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.2 m -55.77 -38.92 70.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -66.2 -48.98 68.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.2 mt -66.53 -50.14 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.019 0.437 . . . . 0.0 110.874 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -14.05 40.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.525 ' CD2' ' N ' ' B' ' 760' ' ' ARG . 73.9 t80 -165.73 -100.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.778 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.525 ' N ' ' CD2' ' B' ' 759' ' ' TYR . 38.0 ttm-85 -164.72 126.34 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -65.96 77.05 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.54 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.74 159.02 54.05 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.77 2.313 . . . . 0.0 112.038 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.74 -35.23 72.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.391 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.7 m -60.08 -41.36 92.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.17 -42.73 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.414 HD13 HG22 ' B' ' 714' ' ' ILE . 93.8 mt -63.01 -44.35 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.38 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -64.7 -45.64 85.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -62.98 -38.15 90.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.32 -42.64 91.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.064 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.87 -42.07 97.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.82 -43.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.331 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.1 m -60.71 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.43 -44.0 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.22 -33.22 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -19.0 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.692 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.26 126.77 35.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.493 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.14 -20.94 54.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -62.96 -35.49 80.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.327 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.487 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 63.1 t80 -60.63 -46.97 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.77 83.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -43.67 94.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.669 0.271 . . . . 0.0 110.396 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.05 -43.77 98.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.261 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . 0.487 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 96.4 mt-10 -59.05 -46.81 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.754 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.73 -42.16 98.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.46 -36.58 81.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . 0.498 HH12 ' HZ2' ' B' ' 738' ' ' LYS . 79.8 ttt-85 -60.7 -44.0 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' B' ' 738' ' ' LYS . . . -63.39 -41.31 98.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.78 -37.97 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.729 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . 0.469 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -81.87 27.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.498 ' HZ2' HH12 ' B' ' 734' ' ' ARG . 52.6 mmtt -79.31 23.17 0.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.469 ' H ' ' C ' ' B' ' 737' ' ' ALA . 4.9 t90 -108.77 11.81 26.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.16 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -128.7 178.07 6.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.071 0.463 . . . . 0.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 10.3 p -88.16 -16.95 32.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -60.76 -22.24 63.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.85 -4.97 49.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.659 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -75.27 145.37 79.94 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.05 -18.83 46.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.608 2.205 . . . . 0.0 112.412 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.62 -25.63 38.27 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.62 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -64.99 -47.95 75.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.61 -36.16 81.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.24 -37.57 87.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.84 99.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 32.9 p -67.5 -35.94 80.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.1 t -60.82 -41.23 95.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.7 m -63.1 -45.31 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.624 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.37 -40.63 87.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.3 m -55.67 -39.94 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.388 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' B' ' 759' ' ' TYR . 39.4 t30 -64.75 -46.14 83.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.779 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.04 -49.45 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.11 0.481 . . . . 0.0 111.262 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -14.51 31.06 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 756' ' ' ASN . 83.7 t80 -145.94 109.42 4.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.941 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' B' ' 760' ' ' ARG . 15.4 ttp85 -152.9 26.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.659 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -62.31 -28.17 70.49 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.646 -179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.423 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 12.3 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' B' ' 709' ' ' SER . 41.1 Cg_endo -66.78 -21.5 51.03 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.752 2.301 . . . . 0.0 111.981 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.07 -33.9 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.2 m -64.15 -38.87 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -44.63 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -61.52 -48.95 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.92 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.85 -40.04 91.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -37.69 86.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.426 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.15 -43.88 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.247 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.7 m -63.27 -45.07 93.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.794 0.33 . . . . 0.0 110.656 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.58 -41.95 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.309 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -57.22 -28.64 63.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 55.1 t0 -71.48 -9.06 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -81.64 146.56 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -75.02 -24.75 58.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.492 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.87 -40.8 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.41 -44.66 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.497 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.14 -42.55 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.66 -43.76 97.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.274 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -57.89 -43.45 86.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.75 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -37.49 86.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.506 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -61.33 -44.3 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.92 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.524 ' C ' ' H ' ' B' ' 738' ' ' LYS . 99.6 mtt180 -61.67 -29.45 70.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.665 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -67.85 9.16 0.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.812 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' B' ' 736' ' ' ARG . 73.5 tttt -96.99 13.35 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.593 . . . . 0.0 110.822 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.432 ' O ' ' O ' ' B' ' 740' ' ' ASP . 6.0 t90 -92.56 23.0 4.25 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 739' ' ' TRP . 54.5 p-10 -49.09 -179.06 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.201 0.524 . . . . 0.0 110.321 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 13.1 t -51.07 -27.51 8.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.7 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -59.45 -25.41 64.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.816 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 9.4 m120 -100.18 -14.21 18.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.61 147.21 88.93 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.569 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -45.83 -34.09 11.62 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.655 2.237 . . . . 0.0 112.159 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 62.5 mt -56.42 -34.09 66.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.118 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.75 -46.08 91.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -65.53 -40.79 93.32 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.1 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -57.44 -32.52 66.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.45 81.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.604 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 21.9 p -67.09 -36.01 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.712 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 36.7 t -59.28 -31.25 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.2 m -62.65 -45.11 94.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.23 -40.01 84.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.6 m -55.72 -42.77 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.271 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.57 -47.88 79.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.64 -46.74 88.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.179 0.514 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -13.86 62.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.011 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 78.9 t80 53.03 97.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.991 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.85 -68.63 0.33 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.195 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.27 -39.46 97.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.502 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' B' ' 709' ' ' SER . 1.8 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.19 136.61 74.09 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.62 2.213 . . . . 0.0 112.206 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 711' ' ' GLU . 58.5 mp0 -69.24 -32.76 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.524 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 75.1 m -60.43 -44.7 95.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.16 -42.51 96.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.821 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.67 -43.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -63.55 -48.83 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.12 -36.23 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.86 -41.01 95.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.377 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.33 -41.46 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.26 -43.97 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.1 m -61.49 -45.4 94.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.37 -43.75 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.33 -33.34 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.7 t0 -68.8 -35.9 77.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -67.32 131.27 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -77.14 -19.27 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.677 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -57.84 -45.4 86.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.36 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -63.98 -44.47 92.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.646 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.42 -43.9 96.29 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.9 -45.31 95.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.5 -46.41 90.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . 0.404 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -64.96 -39.04 92.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.03 -35.17 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -62.25 -41.63 98.6 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.39 88.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' B' ' 738' ' ' LYS . 84.5 mtt85 -67.08 -37.03 83.26 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -69.24 7.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.154 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' B' ' 736' ' ' ARG . 99.0 mttt -109.76 23.73 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -132.55 -20.04 2.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.583 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -161.87 167.73 24.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.076 0.465 . . . . 0.0 110.406 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 4.7 m -88.28 -24.27 23.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.19 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -96.12 3.06 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.73 146.42 95.68 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.56 -23.55 49.76 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.506 2.137 . . . . 0.0 112.501 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.13 -26.39 56.3 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -62.82 -49.02 76.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.962 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.51 -34.35 75.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.423 ' O ' ' OG ' ' B' ' 752' ' ' SER . 44.6 tp10 -60.66 -32.91 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.557 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.54 82.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 40.8 p -67.13 -38.47 85.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 749' ' ' GLU . 95.8 p -62.38 -31.01 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.1 m -63.26 -45.59 90.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.723 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.32 -40.56 86.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.6 m -56.5 -39.96 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.32 -46.41 83.66 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.752 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -69.97 -48.13 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 111.123 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -14.03 30.5 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.369 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.518 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 93.3 t80 -86.31 2.61 46.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' B' ' 759' ' ' TYR . 2.4 tpm_? 58.14 116.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -65.84 -38.05 93.95 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.589 -179.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.4 144.61 99.36 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.709 2.273 . . . . 0.0 112.06 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.37 -38.94 88.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.615 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.53 -39.26 93.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.473 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.54 -42.3 99.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.219 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -56.17 -40.8 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.03 -35.06 78.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.379 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -43.35 96.11 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.415 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.04 -40.11 96.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.14 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.54 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.014 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.0 m -61.14 -43.57 98.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.41 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.283 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.79 -26.77 67.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.854 0.359 . . . . 0.0 110.63 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -72.65 -7.57 51.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -84.29 134.34 34.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -64.97 -39.52 93.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.36 -45.52 88.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.612 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -68.28 -38.18 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.646 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.67 89.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -39.91 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -66.75 -38.73 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.685 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -59.02 -49.12 79.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.87 -38.32 86.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.962 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.74 -35.65 80.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.56 -44.97 95.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.46 87.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.529 ' C ' ' H ' ' B' ' 738' ' ' LYS . 99.8 mtt180 -65.93 -37.13 85.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -71.85 18.69 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' B' ' 736' ' ' ARG . 69.1 mmtt -97.89 11.4 37.51 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -56.03 -13.9 2.25 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' B' ' 741' ' ' THR . 28.0 t70 -72.41 -177.82 2.33 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.206 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.528 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 5.7 t -44.19 -16.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 0.0 110.592 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -58.92 -20.81 55.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 738' ' ' LYS . 2.8 m120 -94.78 -5.01 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.717 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -67.27 145.95 98.73 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.13 -31.21 45.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.649 2.233 . . . . 0.0 112.565 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -32.04 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -62.9 -45.84 90.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.685 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -63.72 -43.33 96.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.26 -39.35 86.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.97 82.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.485 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.5 m -61.02 -45.41 94.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.424 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 74.8 m -60.12 -37.96 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 96.6 m -63.54 -44.48 94.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 36.5 t80 -58.98 -43.28 91.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.44 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.8 m -61.32 -36.16 79.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.89 0.376 . . . . 0.0 110.741 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -60.92 -43.05 99.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.99 -46.72 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.663 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 99.8 m -63.19 -19.06 64.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.475 ' CZ ' ' OG1' ' B' ' 762' ' ' THR . 82.8 t80 -149.48 117.14 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.601 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 -71.21 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.662 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -64.76 -39.78 96.89 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 762' ' ' THR . . . . . 0.475 ' OG1' ' CZ ' ' B' ' 759' ' ' TYR . 32.8 m . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.485 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.96 150.83 81.98 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 123.053 2.502 . . . . 0.0 111.996 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.92 -33.18 75.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.02 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.622 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.12 -41.66 97.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.671 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.57 -43.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.416 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.03 -43.86 91.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -61.29 -40.74 95.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.25 -37.54 85.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.276 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.91 -46.63 96.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.6 m -62.27 -45.01 95.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.85 -43.53 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -60.55 -36.78 79.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.476 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -70.52 -18.6 62.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -91.69 105.04 17.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.55 -36.66 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.6 -40.71 83.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -62.61 -43.56 98.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.302 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.33 72.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.449 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.42 -43.02 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -62.11 -42.16 98.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.346 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.19 -43.01 82.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.25 -42.37 98.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.15 -39.35 89.74 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.35 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -70.14 -41.64 73.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.54 -26.02 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -57.71 -31.02 65.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.248 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -87.22 12.26 12.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -93.57 20.94 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' B' ' 739' ' ' TRP . 75.4 t-105 -80.87 11.08 4.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' B' ' 741' ' ' THR . 42.9 t0 -74.99 -178.92 4.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.521 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 2.8 t -47.32 -13.75 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' B' ' 740' ' ' ASP . . . -65.01 -18.94 65.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.766 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -102.17 5.97 40.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -76.81 146.99 77.07 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.47 -35.07 11.65 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.692 2.261 . . . . 0.0 112.414 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 746' ' ' LEU . 10.8 mp -61.2 -32.46 72.21 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -60.89 -46.04 92.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.93 -41.58 95.42 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.048 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' B' ' 752' ' ' SER . 43.8 tp10 -59.31 -39.42 82.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.03 87.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 89.4 m -60.56 -42.94 97.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 749' ' ' GLU . 91.1 p -55.53 -41.0 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.381 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.8 m -64.74 -45.18 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.539 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.57 ' O ' ' N ' ' B' ' 758' ' ' THR . 41.9 m-85 -63.44 -35.21 79.69 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.356 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.4 m -58.74 -40.8 84.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.978 0.418 . . . . 0.0 110.715 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.36 -42.63 99.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.544 ' C ' ' H ' ' B' ' 759' ' ' TYR . 1.3 mt -89.32 -50.5 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.57 ' N ' ' O ' ' B' ' 754' ' ' PHE . 29.6 m -55.71 -4.16 0.1 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.525 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.544 ' H ' ' C ' ' B' ' 757' ' ' ILE . 54.7 t80 -147.92 76.41 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.394 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -95.78 6.55 48.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 84.27 14.61 71.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 65.6 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.471 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 26.3 p . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 709' ' ' SER . 45.5 Cg_endo -68.39 157.04 63.51 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.825 2.35 . . . . 0.0 112.0 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' B' ' 711' ' ' GLU . 1.6 pm0 -54.78 -26.03 31.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.1 m -65.64 -43.63 88.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.498 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -45.66 91.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.206 0.527 . . . . 0.0 110.356 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.22 -43.58 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -57.42 -41.14 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.34 -38.82 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -38.38 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.98 -41.36 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.52 -46.83 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.9 m -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.23 -43.95 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.33 -27.67 69.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.4 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.95 -9.03 57.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.84 127.84 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -66.26 -36.03 81.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.51 -46.06 87.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.568 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -68.6 -38.67 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.706 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.83 86.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.463 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.32 -45.08 94.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.542 0.21 . . . . 0.0 110.659 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.52 -44.51 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.442 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.11 -46.41 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -64.32 -36.17 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -65.56 -37.79 87.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -61.84 -44.01 97.69 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.19 86.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.39 -38.91 92.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -91.0 34.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.584 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.491 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 26.2 pttm -71.35 10.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.194 0.521 . . . . 0.0 111.311 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.511 ' H ' ' C ' ' B' ' 737' ' ' ALA . 48.7 t90 -78.43 15.55 0.97 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' B' ' 741' ' ' THR . 40.4 t0 -79.56 -178.7 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.497 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 6.1 t -45.65 -18.13 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.142 0.496 . . . . 0.0 110.448 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' B' ' 740' ' ' ASP . . . -62.96 -14.63 49.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.221 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' B' ' 738' ' ' LYS . 1.8 m120 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -61.77 146.42 90.79 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.74 -23.21 56.18 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.638 2.225 . . . . 0.0 112.304 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -64.25 -33.76 76.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.404 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.405 ' O ' ' OG1' ' B' ' 751' ' ' THR . 61.1 t80 -76.95 -42.63 38.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.631 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -64.38 -49.8 70.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 750' ' ' ALA . 2.0 pp20? -63.18 -36.81 84.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.127 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' B' ' 749' ' ' GLU . . . -68.01 -38.06 82.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.508 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 747' ' ' TYR . 17.6 m -62.36 -44.25 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.529 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 89.6 p -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 16.2 m -63.29 -44.83 93.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.81 -40.91 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.9 m -55.78 -40.26 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.182 0.515 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.89 -47.29 78.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.4 -49.6 64.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.025 0.441 . . . . 0.0 110.914 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -15.05 44.1 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 94.1 t80 -100.22 6.3 44.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.224 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' B' ' 760' ' ' ARG . 37.4 ttm-85 -49.46 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 762' ' ' THR . . . -158.8 -75.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 762' ' ' THR . . . . . 0.426 ' O ' ' O ' ' B' ' 761' ' ' GLY . 57.8 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' B' ' 710' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' B' ' 709' ' ' SER . 35.8 Cg_exo -58.89 144.98 98.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.589 2.192 . . . . 0.0 112.182 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.14 -34.77 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.418 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 97.4 m -62.84 -42.94 99.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.581 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.34 -43.76 96.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.63 -43.52 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -61.67 -42.6 99.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.76 -37.38 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -41.29 97.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.82 -39.18 93.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.619 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.5 -44.48 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.249 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 22.6 m -62.68 -48.82 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.19 -43.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.68 -35.95 79.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.23 -35.23 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.29 98.17 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.59 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.97 -31.69 72.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.92 -32.54 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -59.12 -46.29 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.65 99.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.33 -40.44 96.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.35 -41.34 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.4 -50.07 74.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.69 -38.55 83.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . 0.492 ' CG ' HH21 ' B' ' 736' ' ' ARG . 92.7 mt-10 -66.93 -38.43 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -60.85 -44.42 97.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.525 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.73 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.492 HH21 ' CG ' ' B' ' 733' ' ' GLU . 84.7 mtm180 -64.72 -36.43 84.25 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.735 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -83.9 1.38 43.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -101.23 44.0 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 70.5 m95 54.09 101.99 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.53 ' O ' ' ND2' ' B' ' 744' ' ' ASN . 42.3 t0 -65.89 176.8 1.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.128 0.49 . . . . 0.0 110.422 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.455 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 15.3 t -62.38 -42.12 99.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.587 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.405 ' N ' ' CG2' ' B' ' 741' ' ' THR . . . -63.2 -30.31 71.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -94.47 -2.3 52.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.455 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' B' ' 740' ' ' ASP . 4.6 m120 -83.04 145.43 49.4 Favored Pre-proline 0 N--CA 1.452 -0.326 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -47.37 -34.79 19.73 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.36 -34.01 60.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.309 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.3 -46.43 88.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.35 92.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.55 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.62 -39.0 79.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.523 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.7 88.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.44 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.6 m -63.58 -45.7 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' B' ' 755' ' ' THR . 38.4 m -63.91 -31.52 72.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.0 m -62.73 -43.77 97.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.498 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 46.3 t80 -58.84 -43.37 90.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 752' ' ' SER . 22.2 p -65.02 -34.18 77.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -62.14 -42.43 99.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -50.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.071 0.462 . . . . 0.0 110.294 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.498 ' OG1' ' CE1' ' B' ' 754' ' ' PHE . 11.7 m -61.54 -43.32 99.07 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.57 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.43 ' O ' ' CB ' ' B' ' 760' ' ' ARG . 66.9 t80 58.06 118.21 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' B' ' 759' ' ' TYR . 16.4 ttt-85 76.89 25.56 0.83 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.671 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.0 -27.36 70.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.653 -179.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.417 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 47.0 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' B' ' 709' ' ' SER . 40.8 Cg_endo -67.88 -19.41 46.51 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.771 2.314 . . . . 0.0 111.972 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.71 -35.76 78.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.466 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 16.8 m -63.35 -46.09 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.73 -43.83 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -59.65 -41.28 90.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.451 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -59.58 -41.67 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.644 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -37.9 86.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.54 -41.36 94.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.16 -46.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.5 m -59.89 -47.53 85.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.79 -43.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.44 -31.95 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -70.63 -17.69 62.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -87.02 141.25 28.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.479 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.05 -23.75 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.86 -35.78 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.6 -43.47 97.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.71 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.92 -42.91 99.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.325 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.98 -42.15 79.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.1 -37.17 85.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -61.88 -37.13 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -69.27 -41.69 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.555 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.08 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.708 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -63.26 -26.59 68.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 110.578 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.92 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.399 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -83.78 31.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.613 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.42 ' O ' ' O ' ' B' ' 740' ' ' ASP . 60.4 m95 -100.27 -1.57 35.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.053 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' B' ' 741' ' ' THR . 44.3 t0 -49.04 179.68 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.521 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 25.7 p -71.23 -24.18 62.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.66 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -59.99 -24.05 64.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -93.71 -7.19 44.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.525 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -82.98 145.81 50.48 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.702 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.77 -20.43 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.767 2.312 . . . . 0.0 112.411 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' B' ' 746' ' ' LEU . 11.0 mp -68.72 -31.41 70.46 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.357 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.63 -48.33 81.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' B' ' 751' ' ' THR . 16.8 ptpt -67.49 -33.71 75.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.871 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.2 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.563 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.6 87.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 63.1 p -65.09 -36.19 83.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.577 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 39.5 t -61.3 -39.36 90.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -62.98 -43.56 98.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' B' ' 758' ' ' THR . 56.5 t80 -58.29 -43.38 88.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -60.34 -40.3 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.1 -53.58 56.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' B' ' 759' ' ' TYR . 0.1 OUTLIER -74.16 -43.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' B' ' 754' ' ' PHE . 69.1 m -64.98 -1.37 2.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.498 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 53.2 t80 -130.6 49.24 2.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.733 HH11 ' H ' ' B' ' 760' ' ' ARG . 0.0 OUTLIER -62.88 -2.22 1.13 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' B' ' 759' ' ' TYR . . . -58.08 -27.84 60.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.59 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.22 144.57 80.85 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.742 2.295 . . . . 0.0 112.154 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' B' ' 713' ' ' LEU . 23.8 p -59.49 -48.81 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.469 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . 0.591 ' N ' ' SG ' ' B' ' 712' ' ' CYS . 12.0 mt -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.823 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -43.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.358 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -60.32 -43.58 96.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.51 -35.91 77.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.518 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -40.96 98.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.47 -40.46 91.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.208 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 -43.51 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.7 m -60.64 -43.0 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.478 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.409 HD12 HG22 ' B' ' 721' ' ' ILE . 97.3 mt -63.19 -43.32 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.56 -35.06 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -69.44 -35.08 75.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -76.51 100.92 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -63.64 -32.7 74.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' B' ' 726' ' ' GLU . 56.1 mp0 -58.2 -37.26 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.462 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.02 -41.15 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.449 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.53 84.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.504 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.23 -40.58 94.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.08 -41.32 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.712 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.72 -49.38 76.73 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.28 -37.32 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -66.7 -37.23 84.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.55 84.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 83.6 mtt85 -67.58 -18.01 64.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.79 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -97.4 27.6 4.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.77 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -109.3 25.97 11.18 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.706 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 53.3 t90 61.04 112.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 741' ' ' THR . 43.6 t0 -153.53 153.95 33.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.821 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.524 ' N ' ' OD1' ' B' ' 740' ' ' ASP . 9.3 m -64.15 -43.25 95.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.725 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.848 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 736' ' ' ARG . 7.2 m120 -81.02 -14.66 57.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.636 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.92 145.71 62.23 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.67 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.88 -23.83 47.06 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.653 2.235 . . . . 0.0 112.763 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.1 -35.13 77.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -61.12 -46.54 90.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.631 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.69 -42.32 95.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.09 -37.47 87.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.24 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.7 m -60.89 -44.74 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -33.44 70.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 10.5 m -62.83 -37.99 88.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -39.34 75.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.7 m -57.07 -38.94 74.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.318 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -67.62 -49.54 62.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.78 -49.45 80.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.288 0.566 . . . . 0.0 110.944 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 1.1 t -63.14 -12.81 30.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.367 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -115.14 92.51 3.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.789 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -162.03 114.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.625 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -151.56 28.1 0.95 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.36 -38.17 72.86 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.557 2.171 . . . . 0.0 112.077 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.43 -38.65 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.31 -40.59 97.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.531 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.63 -43.16 99.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.8 -43.54 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -58.64 -46.27 87.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.447 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.59 -35.99 79.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.87 -40.59 95.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.044 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.16 -42.39 98.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.6 mt -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.9 m -62.13 -46.04 90.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.406 HD13 HG22 ' B' ' 721' ' ' ILE . 97.2 mt -63.77 -44.07 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -61.33 -30.59 70.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.37 -33.85 73.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.622 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -68.34 131.53 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -77.38 -22.61 51.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.15 -44.54 94.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -66.05 -39.54 90.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.591 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.59 88.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -61.2 -45.44 94.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.451 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.19 -47.99 83.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.11 -40.34 95.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.657 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.25 -35.89 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -62.63 -41.05 98.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.418 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.85 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.294 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.38 -25.55 63.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.03 0.443 . . . . 0.0 110.048 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -84.21 7.67 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.014 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 97.8 mttt -85.68 16.99 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.954 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -88.97 12.32 15.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' B' ' 742' ' ' ALA . 49.0 p-10 -58.46 -178.46 0.05 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.273 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 19.4 p -49.6 -17.0 0.26 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' B' ' 740' ' ' ASP . . . -62.88 -29.62 70.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 4.6 m120 -99.75 4.29 45.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -83.01 146.89 52.89 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.409 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -44.24 -32.93 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.916 2.411 . . . . 0.0 112.194 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.01 -34.39 74.73 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.992 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -63.47 -45.8 89.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' B' ' 751' ' ' THR . 42.8 tttt -65.04 -39.47 93.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.072 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.71 -38.68 82.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.66 96.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.62 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 35.2 p -66.94 -36.39 82.11 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.555 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.3 t -61.6 -41.13 97.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.2 m -63.03 -45.78 90.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.789 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 54.3 t80 -57.7 -39.92 78.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.9 m -57.04 -42.49 80.58 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.298 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -68.45 -52.28 34.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.3 -45.62 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 110.577 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 44.6 m -67.2 -4.02 9.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.234 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.536 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 75.5 t80 -123.67 19.54 9.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.484 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 139.11 -20.13 3.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.526 -179.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.445 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 66.9 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' B' ' 709' ' ' SER . 42.8 Cg_endo -67.01 -19.12 52.08 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.707 2.271 . . . . 0.0 111.931 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.36 -39.33 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.669 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.3 -38.74 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.22 -40.99 99.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.34 -43.77 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -59.87 -45.57 92.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.98 -38.87 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.98 -41.15 97.7 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.23 -42.74 81.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.373 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.47 -41.44 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -56.33 -35.72 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.47 -44.15 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.59 -39.55 84.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 67.1 t0 -68.89 -35.84 77.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -83.04 103.4 12.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.007 0.432 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.15 -33.43 75.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.671 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.14 -44.29 87.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.47 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -63.16 -43.6 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.67 91.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.56 -43.94 97.94 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.71 -44.47 96.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -45.15 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.95 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.94 -37.3 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.706 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.54 -43.52 98.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.91 81.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.91 -36.28 80.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -110.25 18.84 19.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -151.57 46.78 0.8 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.193 0.521 . . . . 0.0 110.495 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.445 ' CD1' ' OD1' ' B' ' 744' ' ' ASN . 1.7 t90 74.91 120.3 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.818 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' B' ' 741' ' ' THR . 28.0 t0 -126.06 -179.8 4.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.043 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.498 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 23.9 p -64.94 -30.55 71.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.85 85.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.55 2.91 56.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.099 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.445 ' OD1' ' CD1' ' B' ' 739' ' ' TRP . 52.7 m-20 -82.9 146.69 52.84 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -45.21 -33.51 8.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.15 -35.37 73.39 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.68 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.43 -46.18 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.97 -40.72 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.396 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.46 -39.99 89.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.599 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.44 86.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.1 m -61.38 -41.81 97.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.607 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.6 t -57.98 -42.49 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.5 m -64.14 -46.35 84.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.798 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -62.06 -34.7 76.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.149 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 13.8 m -58.41 -42.19 86.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.459 . . . . 0.0 110.045 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.8 -44.97 91.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.242 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.51 -46.1 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.506 0.67 . . . . 0.0 111.287 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -10.48 44.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.249 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.68 -45.81 88.61 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.448 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.473 ' NH1' ' C ' ' B' ' 762' ' ' THR . 0.0 OUTLIER 58.18 59.06 3.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.199 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.61 87.71 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 762' ' ' THR . . . . . 0.473 ' C ' ' NH1' ' B' ' 760' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.719 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.442 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 26.3 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' B' ' 709' ' ' SER . 38.6 Cg_endo -66.71 -20.43 52.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.712 2.275 . . . . 0.0 111.986 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.68 -33.68 71.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -41.75 95.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.531 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.59 -41.78 99.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.17 -43.57 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -57.93 -45.16 87.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.65 -38.41 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.22 -39.07 81.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.94 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.48 -38.65 88.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.263 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.409 HG22 HD13 ' B' ' 719' ' ' ILE . 32.1 mm -60.55 -43.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -62.58 -45.23 93.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.548 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.98 -43.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.448 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.96 -19.92 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -85.85 151.03 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -68.53 -20.29 64.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.41 -34.37 70.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.73 -45.39 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.15 -44.64 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -61.6 -42.64 99.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -57.13 -44.68 83.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.26 -39.77 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.443 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.63 -36.71 78.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.07 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.98 89.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.496 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.438 ' C ' ' H ' ' B' ' 738' ' ' LYS . 95.9 mtt-85 -69.57 -36.21 76.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.674 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -73.71 11.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.106 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' B' ' 736' ' ' ARG . 89.9 mttt -79.98 19.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.781 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.545 ' O ' ' CD1' ' B' ' 739' ' ' TRP . 76.6 t-105 -98.91 13.44 32.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' B' ' 742' ' ' ALA . 41.5 p-10 -53.83 -179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.472 . . . . 0.0 110.267 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.507 ' O ' ' OD1' ' B' ' 744' ' ' ASN . 2.1 t -50.75 -16.64 0.42 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.495 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' B' ' 740' ' ' ASP . . . -58.43 -20.4 44.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.608 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -96.0 1.17 52.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.507 ' OD1' ' O ' ' B' ' 741' ' ' THR . 25.7 p-10 -63.0 145.36 96.7 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.275 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.88 -29.01 50.32 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.657 2.238 . . . . 0.0 113.071 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -37.55 84.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.273 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -67.67 -44.29 78.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.27 -40.73 97.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.269 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.3 -43.17 92.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.76 98.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 83.7 m -63.73 -44.58 93.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -60.84 -34.1 74.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.1 m -63.53 -45.17 91.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -59.38 -43.13 92.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.4 m -61.35 -36.34 79.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.61 -47.64 74.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 18.3 pt -70.18 -42.32 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -25.85 64.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.496 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 90.1 t80 -89.85 3.56 52.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.6 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 60.88 120.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.462 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.38 99.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.535 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.05 93.22 0.72 Allowed 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.661 2.24 . . . . 0.0 111.914 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.81 -33.68 76.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.8 -41.66 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.48 -43.85 96.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.381 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -63.47 -47.85 80.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.13 -36.01 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.15 -40.22 95.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.43 -41.54 97.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.724 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.271 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.89 -43.5 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.41 -37.0 81.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -69.59 -34.17 73.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' B' ' 726' ' ' GLU . 80.1 mtp85 -74.54 123.7 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.486 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.32 -19.33 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.712 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' B' ' 724' ' ' ARG . 96.1 mt-10 -57.6 -43.28 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -66.4 -39.1 88.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.48 82.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.468 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.36 -43.18 98.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.93 -43.21 98.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.16 -43.85 82.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.768 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.3 -39.45 94.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -35.8 82.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.31 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.07 81.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.591 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -64.36 -38.54 91.39 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -101.54 40.67 1.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -84.94 27.34 0.77 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.343 0.592 . . . . 0.0 110.224 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.401 ' H ' ' C ' ' B' ' 737' ' ' ALA . 32.8 t90 59.64 100.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.16 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -128.36 -178.26 4.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.238 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 73.9 m -61.64 -43.06 99.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.649 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.19 77.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -89.14 7.84 33.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 744' ' ' ASN . 48.9 p-10 -60.01 148.09 78.34 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.31 -34.12 17.91 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.566 2.177 . . . . 0.0 112.4 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.12 -34.4 74.92 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.073 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.19 -45.99 90.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.123 0.487 . . . . 0.0 110.702 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.49 -41.56 98.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.525 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.38 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.16 77.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 30.4 p -67.09 -36.06 81.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 15.7 m -59.66 -35.25 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.7 m -63.11 -45.63 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.836 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.522 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 63.1 t80 -57.56 -39.3 76.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.9 m -58.18 -43.17 87.39 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -67.85 -51.99 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.64 -45.46 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.38 0.61 . . . . 0.0 110.386 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.564 ' O ' ' N ' ' B' ' 760' ' ' ARG . 19.2 m -78.16 -0.9 30.15 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.072 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -49.9 85.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 758' ' ' THR . 21.5 tpt85 -157.99 107.61 2.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -66.09 -42.32 94.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.519 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 709' ' ' SER . . . . . 0.444 ' CB ' ' CD ' ' B' ' 710' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' B' ' 709' ' ' SER . 30.9 Cg_exo -61.28 144.98 98.92 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.714 2.276 . . . . 0.0 112.01 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.69 -39.34 88.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.65 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.06 -44.0 97.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.69 -43.72 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -60.62 -41.93 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -64.34 -36.76 85.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.314 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.18 -41.92 97.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.155 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.97 -41.14 97.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.434 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.5 -43.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.138 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.3 m -61.71 -45.13 95.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.22 -43.46 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -63.06 -34.5 77.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.509 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.4 -19.32 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -84.68 138.7 32.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.96 0.409 . . . . 0.0 110.554 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -76.63 -21.09 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.31 -40.47 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.342 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.77 -46.77 89.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.603 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.04 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -63.17 -44.09 96.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.703 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.2 -45.41 94.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.37 -48.53 81.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.517 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -65.35 -35.84 82.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -47.81 84.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.132 0.492 . . . . 0.0 110.353 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.96 96.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.562 ' C ' ' H ' ' B' ' 738' ' ' LYS . 79.3 mmt-85 -70.11 -36.09 74.6 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -69.82 14.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.807 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.562 ' H ' ' C ' ' B' ' 736' ' ' ARG . 45.2 tttp -88.99 13.4 12.96 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -156.56 14.91 0.3 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' B' ' 742' ' ' ALA . 99.6 m-20 -100.36 -176.57 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.121 0.486 . . . . 0.0 110.225 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 6.0 p -45.42 -14.82 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.656 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -59.17 -27.61 65.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -91.79 3.22 55.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.027 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.88 135.1 63.71 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -45.64 -35.43 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.599 2.199 . . . . 0.0 112.558 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -63.04 -35.76 81.3 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.252 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.72 -43.4 96.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.715 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.7 mttm -60.84 -38.84 86.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.227 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -57.65 -32.47 67.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.31 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 72.0 p -62.7 -34.23 76.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 42.4 t -56.78 -43.1 80.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.225 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 98.6 m -64.15 -45.78 86.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 758' ' ' THR . 51.9 m-85 -64.81 -36.1 83.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.384 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.3 m -57.26 -40.23 77.25 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.564 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -63.08 -43.83 97.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.57 ' C ' ' H ' ' B' ' 759' ' ' TYR . 1.8 mt -87.19 -51.1 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.327 0.584 . . . . 0.0 110.798 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 754' ' ' PHE . 32.7 m -62.51 4.25 0.16 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.33 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.57 ' H ' ' C ' ' B' ' 757' ' ' ILE . 91.2 t80 -58.08 -45.0 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -163.53 124.7 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.932 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.69 -40.17 98.28 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.474 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.13 151.58 77.67 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.965 2.443 . . . . 0.0 111.998 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.71 -29.8 54.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.509 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 71.3 m -61.59 -46.5 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' B' ' 713' ' ' LEU . 4.0 mm? -64.02 -42.69 97.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.71 -44.52 98.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.178 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -57.74 -38.88 76.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.97 -42.62 94.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.275 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' B' ' 718' ' ' LEU . 4.1 mm? -62.3 -41.7 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.74 -43.45 97.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.329 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.2 m -60.9 -45.07 96.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.416 HG23 HD12 ' B' ' 721' ' ' ILE . 97.3 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.424 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.12 -35.97 76.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.28 -18.84 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.623 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -85.79 145.99 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -64.87 -22.53 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.25 -34.65 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.409 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 78.5 t80 -60.38 -46.09 91.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.27 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.071 0.462 . . . . 0.0 110.505 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.16 -43.01 99.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.171 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . 0.409 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 70.3 mt-10 -56.84 -37.37 71.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.325 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . 0.436 ' C ' ' HE ' ' B' ' 736' ' ' ARG . 94.2 mt-10 -63.08 -36.31 83.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' B' ' 736' ' ' ARG . 80.6 mm-40 -67.87 -34.73 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' B' ' 738' ' ' LYS . 93.8 mtt-85 -60.28 -47.22 86.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.23 -43.7 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.924 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' B' ' 733' ' ' GLU . 86.9 mtm180 -61.23 -43.0 99.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' B' ' 739' ' ' TRP . . . -85.18 -36.67 20.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.178 0.513 . . . . 0.0 111.42 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' B' ' 734' ' ' ARG . 75.7 tttt 36.35 29.17 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.49 ' N ' ' O ' ' B' ' 737' ' ' ALA . 28.3 m95 -133.63 9.7 3.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.235 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' B' ' 742' ' ' ALA . 21.6 t70 -93.84 -177.19 4.27 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.005 0.431 . . . . 0.0 109.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.506 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 4.8 m -42.27 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.4 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -59.3 -10.68 3.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.658 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.16 8.77 40.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 747' ' ' TYR . 0.1 OUTLIER -58.36 147.35 68.31 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.306 -179.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.28 -44.37 29.32 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.265 1.977 . . . . 0.0 113.085 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' B' ' 746' ' ' LEU . 10.2 mp -62.62 -27.39 69.18 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.343 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 50.7 t80 -65.77 -45.45 82.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.095 0.474 . . . . 0.0 110.686 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.33 -39.81 94.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.86 -32.63 74.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.782 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.17 -51.87 67.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 2.0 t -68.86 -37.18 78.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.686 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 16.1 m -57.28 -34.99 69.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.55 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.4 m -63.65 -44.75 92.9 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.93 -42.74 85.48 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.158 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.1 m -62.08 -36.16 80.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -65.32 -46.73 79.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.564 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.87 -48.66 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 111.084 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.74 -12.17 9.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.41 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 92.3 t80 -92.46 -2.16 56.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.827 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -64.31 -40.3 95.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.1 98.77 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.555 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.17 149.6 84.17 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.884 2.39 . . . . 0.0 112.047 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -50.89 -24.2 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.97 -46.0 75.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.045 0.45 . . . . 0.0 110.718 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' B' ' 713' ' ' LEU . 4.0 mm? -63.62 -42.84 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.23 -43.06 95.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.029 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -55.48 -39.29 70.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -58.86 -42.58 89.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.32 -39.35 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.3 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.02 -40.12 92.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.125 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.5 -44.01 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.3 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.0 m -62.83 -45.95 90.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.651 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.43 -43.61 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.375 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.85 -34.17 75.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.68 -34.74 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.16 118.22 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.15 -33.12 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.53 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 80.2 t80 -60.86 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.72 94.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.55 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.1 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -59.8 -45.82 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.29 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . 0.53 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 97.0 mt-10 -63.5 -47.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.87 -35.38 80.93 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.79 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.477 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.35 95.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.82 -40.29 94.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -83.24 16.06 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.651 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.99 18.24 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.212 0.529 . . . . 0.0 110.986 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -89.41 8.01 33.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' B' ' 741' ' ' THR . 49.9 t0 -81.81 158.2 24.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.21 0.528 . . . . 0.0 110.486 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' B' ' 740' ' ' ASP . 42.6 p -71.7 -31.63 66.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.663 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.009 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -86.73 -9.48 55.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.86 145.98 51.32 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.88 -22.7 55.8 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.533 2.155 . . . . 0.0 112.627 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 746' ' ' LEU . 4.2 mm? -63.11 -37.83 88.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.16 -45.47 91.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.2 mttm -61.69 -40.64 95.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.99 -36.72 84.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.56 94.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 25.0 p -66.53 -34.93 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' B' ' 755' ' ' THR . 6.4 t -57.71 -43.02 84.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.319 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.0 m -65.31 -49.19 70.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -61.56 -38.83 88.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 752' ' ' SER . 17.6 p -61.79 -34.67 76.32 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.004 0.431 . . . . 0.0 110.361 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.39 -45.91 78.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.01 -47.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-O 121.326 0.584 . . . . 0.0 111.356 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -11.37 10.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.163 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -58.13 -47.88 81.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.633 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 20.3 tpt85 -163.94 118.41 1.52 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -77.43 61.95 3.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.526 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.494 1.554 0 CA-C-O 120.794 0.247 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -62.11 -36.76 82.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.9 m -64.67 -42.0 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.06 -44.4 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.055 0.455 . . . . 0.0 110.522 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.68 -42.94 96.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.306 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.42 ' CH2' HD11 ' B' ' 719' ' ' ILE . 37.0 t90 -54.88 -38.93 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.92 -40.82 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.68 -38.04 86.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.47 -40.54 94.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.348 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.42 HD11 ' CH2' ' B' ' 715' ' ' TRP . 68.4 mt -61.84 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 98.1 m -63.02 -45.83 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.735 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.85 -43.52 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.66 -34.32 75.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -68.7 -36.04 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.451 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -69.23 117.15 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.37 -29.4 69.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.59 -33.94 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.426 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 727' ' ' PHE . . . . . 0.498 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 64.8 t80 -60.71 -46.06 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.28 -37.94 87.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.88 -37.22 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 731' ' ' GLU . . . . . 0.498 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.3 mt-10 -58.42 -49.33 77.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.81 -35.21 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.82 -40.13 96.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.7 -43.7 97.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.07 93.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.645 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.539 0.209 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -46.65 -34.02 14.54 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.552 2.168 . . . . 0.0 112.413 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -56.69 -36.79 70.04 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.821 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -62.24 -46.05 90.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.598 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.68 -41.55 95.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.412 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.31 -40.65 82.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.11 90.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.7 m -63.07 -44.72 94.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -60.51 -35.25 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 82.4 m -63.43 -46.94 84.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.98 -41.36 91.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.7 m -55.19 -39.28 69.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.287 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.67 -49.66 67.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.95 -49.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.091 0.472 . . . . 0.0 110.932 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.861 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 N--CA 1.493 1.494 0 CA-C-O 120.81 0.254 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.589 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.57 -38.95 92.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.8 mp -62.77 -41.91 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -43.86 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.441 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -60.16 -42.75 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.98 -36.23 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.88 -40.8 96.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.266 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -41.24 95.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.361 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.68 -43.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.452 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.3 m -60.36 -48.16 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.614 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.37 -43.59 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.716 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.04 -34.7 76.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -69.11 -36.17 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.63 104.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.695 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.49 -35.0 79.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -58.22 -36.85 73.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 727' ' ' PHE . . . . . 0.523 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 85.4 t80 -60.83 -47.72 85.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.562 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.92 87.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.447 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.84 -42.51 99.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -59.76 -44.26 93.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.266 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 731' ' ' GLU . . . . . 0.523 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.2 mt-10 -61.09 -45.66 93.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.778 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.47 -41.94 92.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.56 -38.62 87.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.76 -42.61 99.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 110.412 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.17 94.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.95 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 120.996 0.427 . . . . 0.0 110.256 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 120.6 0.238 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -46.09 -35.46 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.694 2.263 . . . . 0.0 112.527 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.531 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -61.81 -31.86 72.12 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.441 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.87 -46.26 90.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.678 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -42.27 97.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.383 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.98 -39.43 89.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.0 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.534 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 80.8 m -62.42 -44.99 95.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.693 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 38.7 t -61.55 -36.44 80.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.5 m -63.26 -44.37 95.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.658 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.95 -37.1 75.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.434 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -57.59 -42.12 82.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -64.72 -47.28 78.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.7 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.93 -48.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.495 1.606 0 CA-C-O 120.739 0.224 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.57 -41.88 96.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.7 -38.49 91.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.0 tt -62.53 -44.06 97.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.961 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.09 -44.34 99.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.447 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.4 -45.16 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.39 -35.86 81.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.412 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.165 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.39 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.669 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.44 -43.88 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.139 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -62.58 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.65 -43.14 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -59.26 -29.71 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.14 -9.1 57.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -76.67 138.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -71.69 -35.67 70.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.641 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.85 -39.21 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.01 -44.41 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.04 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.57 -43.27 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.685 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.75 -43.48 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -57.52 -43.21 84.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.23 -41.38 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.35 -34.55 78.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.59 -44.18 96.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.75 92.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.737 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 744' ' ' ASN . . . . . 0.667 ' N ' HD21 ' B' ' 744' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 -19.67 54.41 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.378 2.052 . . . . 0.0 112.215 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.544 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -67.97 -33.92 75.57 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.82 -46.8 87.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 111.438 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 748' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' B' ' 751' ' ' THR . 12.6 pttm -65.35 -35.08 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.208 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.711 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.06 90.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.759 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 751' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 31.9 p -66.06 -35.43 80.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.723 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 752' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 755' ' ' THR . 11.6 t -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.1 m -64.11 -46.3 84.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.749 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.37 -43.72 96.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 755' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 752' ' ' SER . 23.5 p -57.06 -34.47 68.28 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -67.43 -48.69 66.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.707 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.16 -48.49 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 111.152 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.155 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 710' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' B' ' 713' ' ' LEU . 41.6 Cg_endo . . . . . 0 N--CA 1.491 1.378 0 CA-C-O 120.811 0.255 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -43.73 -29.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 89.2 m -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 710' ' ' PRO . 48.3 tp -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 714' ' ' ILE . . . . . 0.681 ' N ' HD12 ' B' ' 714' ' ' ILE . 2.2 mp -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -57.08 -43.71 82.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.412 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -61.79 -38.1 86.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.35 -40.19 89.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.395 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.603 ' O ' HD13 ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.63 -42.35 98.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 0.0 110.465 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.25 -44.28 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.322 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.8 m -61.64 -44.92 96.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -43.4 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.454 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -65.89 -28.24 68.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.19 -16.68 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -81.08 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -65.47 -36.96 85.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.0 -35.47 71.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.477 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -61.23 -45.16 95.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.332 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.19 83.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.85 -43.39 98.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.763 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -61.35 -41.66 97.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.44 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.29 -40.96 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.1 -42.59 99.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.99 -34.34 77.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.095 0.474 . . . . 0.0 110.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -67.1 -43.1 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.446 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -68.13 -49.13 63.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.398 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 120.598 0.237 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.38 -27.35 40.28 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.593 2.195 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.15 -33.74 75.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.396 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.69 -46.02 91.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.721 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -62.91 -41.69 99.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -58.6 -40.52 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.489 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.41 89.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.519 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 18.9 m -61.59 -44.2 97.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.5 t -59.14 -40.27 84.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -63.3 -45.0 93.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.18 -40.71 86.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.2 m -55.77 -38.92 70.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -66.2 -48.98 68.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.2 mt -66.53 -50.14 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.019 0.437 . . . . 0.0 110.874 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 121.05 0.354 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.74 -35.23 72.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.391 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.7 m -60.08 -41.36 92.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.17 -42.73 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.01 -44.35 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -64.7 -45.64 85.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -62.98 -38.15 90.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.32 -42.64 91.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.064 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.87 -42.07 97.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.82 -43.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.331 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.1 m -60.71 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.43 -44.0 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.22 -33.22 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -19.0 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.692 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.26 126.77 35.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.493 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.14 -20.94 54.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -62.96 -35.49 80.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.327 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 727' ' ' PHE . . . . . 0.487 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 63.1 t80 -60.63 -46.97 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.77 83.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -43.67 94.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.669 0.271 . . . . 0.0 110.396 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.05 -43.77 98.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.261 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 731' ' ' GLU . . . . . 0.487 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 96.4 mt-10 -59.05 -46.81 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.754 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.73 -42.16 98.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.46 -36.58 81.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -60.7 -44.0 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.31 98.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.729 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.649 0.261 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.05 -18.83 46.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.608 2.205 . . . . 0.0 112.412 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.62 -25.63 38.27 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.62 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -64.99 -47.95 75.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.61 -36.16 81.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.24 -37.57 87.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.84 99.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 32.9 p -67.5 -35.94 80.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.1 t -60.82 -41.23 95.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.7 m -63.1 -45.31 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.624 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.37 -40.63 87.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.3 m -55.67 -39.94 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.388 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.75 -46.14 83.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.779 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.04 -49.45 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.11 0.481 . . . . 0.0 111.262 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 N--CA 1.496 1.661 0 CA-C-O 120.783 0.243 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.07 -33.9 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.2 m -64.15 -38.87 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -44.63 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -61.52 -48.95 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.92 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.85 -40.04 91.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -37.69 86.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.426 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.15 -43.88 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.247 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.7 m -63.27 -45.07 93.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.794 0.33 . . . . 0.0 110.656 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.58 -41.95 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.309 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -57.22 -28.64 63.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 55.1 t0 -71.48 -9.06 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -81.64 146.56 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -75.02 -24.75 58.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.492 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.87 -40.8 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.41 -44.66 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.497 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.14 -42.55 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.66 -43.76 97.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.274 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -57.89 -43.45 86.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.75 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -37.49 86.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.506 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -61.33 -44.3 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.92 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.665 179.653 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.443 0.163 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -45.83 -34.09 11.62 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.655 2.237 . . . . 0.0 112.159 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 62.5 mt -56.42 -34.09 66.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.118 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.75 -46.08 91.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -65.53 -40.79 93.32 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.1 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -57.44 -32.52 66.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.45 81.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.604 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 21.9 p -67.09 -36.01 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.712 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 36.7 t -59.28 -31.25 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.2 m -62.65 -45.11 94.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.23 -40.01 84.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.6 m -55.72 -42.77 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.271 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.57 -47.88 79.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.64 -46.74 88.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.179 0.514 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.011 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo . . . . . 0 N--CA 1.492 1.415 0 CA-C-O 121.078 0.366 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 711' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 711' ' ' GLU . 58.5 mp0 -69.24 -32.76 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.524 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 75.1 m -60.43 -44.7 95.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.16 -42.51 96.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.821 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.67 -43.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -63.55 -48.83 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.12 -36.23 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.86 -41.01 95.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.377 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.33 -41.46 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.26 -43.97 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.1 m -61.49 -45.4 94.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.37 -43.75 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.33 -33.34 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.7 t0 -68.8 -35.9 77.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -67.32 131.27 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -77.14 -19.27 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.677 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -57.84 -45.4 86.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.36 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -63.98 -44.47 92.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.646 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.42 -43.9 96.29 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.9 -45.31 95.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.5 -46.41 90.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 732' ' ' GLU . . . . . 0.448 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -64.96 -39.04 92.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.03 -35.17 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -62.25 -41.63 98.6 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.39 88.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 736' ' ' ARG . . . . . 0.448 HH12 ' HB3' ' B' ' 732' ' ' GLU . 84.5 mtt85 . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 120.713 0.292 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.56 -23.55 49.76 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.506 2.137 . . . . 0.0 112.501 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.13 -26.39 56.3 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -62.82 -49.02 76.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.962 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.51 -34.35 75.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.66 -32.91 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.557 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.54 82.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 40.8 p -67.13 -38.47 85.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 95.8 p -62.38 -31.01 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.1 m -63.26 -45.59 90.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.723 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.32 -40.56 86.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.6 m -56.5 -39.96 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.32 -46.41 83.66 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.752 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -69.97 -48.13 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 111.123 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.369 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.495 1.561 0 CA-C-O 120.849 0.27 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.37 -38.94 88.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.615 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.53 -39.26 93.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.473 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.54 -42.3 99.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.219 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -56.17 -40.8 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.03 -35.06 78.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.379 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.577 ' O ' HD13 ' B' ' 717' ' ' LEU . 0.2 OUTLIER -60.23 -43.35 96.11 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.415 -179.045 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.438 ' N ' HD12 ' B' ' 718' ' ' LEU . 11.1 mp -63.04 -40.11 96.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.14 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.54 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.014 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.0 m -61.14 -43.57 98.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.41 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.283 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.79 -26.77 67.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.854 0.359 . . . . 0.0 110.63 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -72.65 -7.57 51.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -84.29 134.34 34.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -64.97 -39.52 93.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.36 -45.52 88.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.612 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -68.28 -38.18 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.646 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.67 89.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -39.91 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -66.75 -38.73 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.685 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -59.02 -49.12 79.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.87 -38.32 86.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.962 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.74 -35.65 80.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.56 -44.97 95.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.46 87.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.486 0.184 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.13 -31.21 45.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.649 2.233 . . . . 0.0 112.565 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -32.04 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -62.9 -45.84 90.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.685 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -63.72 -43.33 96.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.26 -39.35 86.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.97 82.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.485 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.5 m -61.02 -45.41 94.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.424 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 74.8 m -60.12 -37.96 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 96.6 m -63.54 -44.48 94.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 754' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 36.5 t80 -58.98 -43.28 91.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.44 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.8 m -61.32 -36.16 79.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.89 0.376 . . . . 0.0 110.741 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -60.92 -43.05 99.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.99 -46.72 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.663 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 99.8 m . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo . . . . . 0 N--CA 1.494 1.549 0 CA-C-O 120.958 0.316 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.92 -33.18 75.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.02 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.622 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.0 mp -64.12 -41.66 97.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.671 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.57 -43.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.416 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.03 -43.86 91.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -61.29 -40.74 95.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.25 -37.54 85.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.276 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.91 -46.63 96.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.6 m -62.27 -45.01 95.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 721' ' ' ILE . . . . . 0.412 HG23 ' CG ' ' B' ' 727' ' ' PHE . 97.9 mt -62.85 -43.53 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -60.55 -36.78 79.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.476 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -70.52 -18.6 62.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -91.69 105.04 17.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.55 -36.66 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.6 -40.71 83.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 727' ' ' PHE . . . . . 0.412 ' CG ' HG23 ' B' ' 721' ' ' ILE . 16.2 t80 -62.61 -43.56 98.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.33 72.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.449 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.42 -43.02 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -62.11 -42.16 98.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.346 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.19 -43.01 82.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.25 -42.37 98.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.15 -39.35 89.74 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.35 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -70.14 -41.64 73.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.54 -26.02 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.248 -179.423 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.484 0.183 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.47 -35.07 11.65 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.692 2.261 . . . . 0.0 112.414 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 746' ' ' LEU . 10.8 mp -61.2 -32.46 72.21 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -60.89 -46.04 92.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.93 -41.58 95.42 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.048 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.31 -39.42 82.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.03 87.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 89.4 m -60.56 -42.94 97.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -55.53 -41.0 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.381 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.8 m -64.74 -45.18 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.539 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 754' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' B' ' 758' ' ' THR . 41.9 m-85 -63.44 -35.21 79.69 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.356 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.4 m -58.74 -40.8 84.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.978 0.418 . . . . 0.0 110.715 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.36 -42.63 99.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 1.3 mt -89.32 -50.5 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.512 ' N ' ' O ' ' B' ' 754' ' ' PHE . 29.6 m . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.525 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 N--CA 1.493 1.481 0 CA-C-O 120.971 0.321 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 711' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' B' ' 711' ' ' GLU . 1.6 pm0 -54.78 -26.03 31.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.1 m -65.64 -43.63 88.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.498 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.5 tt -62.78 -45.66 91.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.206 0.527 . . . . 0.0 110.356 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.22 -43.58 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -57.42 -41.14 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.34 -38.82 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -38.38 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.98 -41.36 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.52 -46.83 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.9 m -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.23 -43.95 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.33 -27.67 69.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.4 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.95 -9.03 57.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.84 127.84 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -66.26 -36.03 81.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.51 -46.06 87.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.568 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -68.6 -38.67 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.706 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.83 86.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.463 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.32 -45.08 94.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.542 0.21 . . . . 0.0 110.659 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.52 -44.51 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.442 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.11 -46.41 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -64.32 -36.17 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -65.56 -37.79 87.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -61.84 -44.01 97.69 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.19 86.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 120.547 0.213 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.74 -23.21 56.18 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.638 2.225 . . . . 0.0 112.304 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.544 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -64.25 -33.76 76.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.404 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -76.95 -42.63 38.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.631 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -64.38 -49.8 70.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 749' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 750' ' ' ALA . 2.0 pp20? -63.18 -36.81 84.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.127 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 750' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' B' ' 749' ' ' GLU . . . -68.01 -38.06 82.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.508 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.6 m -62.36 -44.25 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.529 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 89.6 p -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 16.2 m -63.29 -44.83 93.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.81 -40.91 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.9 m -55.78 -40.26 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.182 0.515 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.89 -47.29 78.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.4 -49.6 64.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.025 0.441 . . . . 0.0 110.914 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.495 1.602 0 CA-C-O 120.98 0.325 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.14 -34.77 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.418 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 97.4 m -62.84 -42.94 99.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.581 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.34 -43.76 96.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.63 -43.52 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -61.67 -42.6 99.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.76 -37.38 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -41.29 97.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.82 -39.18 93.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.619 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.5 -44.48 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.249 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 22.6 m -62.68 -48.82 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.19 -43.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.68 -35.95 79.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.23 -35.23 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.29 98.17 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.59 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.97 -31.69 72.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.92 -32.54 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -59.12 -46.29 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.65 99.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.33 -40.44 96.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.35 -41.34 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.4 -50.07 74.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.69 -38.55 83.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 733' ' ' GLU . . . . . 0.509 ' CG ' HH21 ' B' ' 736' ' ' ARG . 92.7 mt-10 -66.93 -38.43 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -60.85 -44.42 97.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.525 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.73 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 736' ' ' ARG . . . . . 0.509 HH21 ' CG ' ' B' ' 733' ' ' GLU . 84.7 mtm180 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.735 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.468 0.175 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -47.37 -34.79 19.73 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.36 -34.01 60.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.309 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.3 -46.43 88.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.35 92.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.55 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.62 -39.0 79.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.523 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.7 88.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.44 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.6 m -63.58 -45.7 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 752' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' B' ' 755' ' ' THR . 38.4 m -63.91 -31.52 72.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.0 m -62.73 -43.77 97.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 754' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' B' ' 758' ' ' THR . 46.3 t80 -58.84 -43.37 90.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 755' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 752' ' ' SER . 22.2 p -65.02 -34.18 77.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -62.14 -42.43 99.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -50.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.071 0.462 . . . . 0.0 110.294 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.588 HG21 ' CE2' ' B' ' 754' ' ' PHE . 11.7 m . . . . . 0 C--N 1.316 -0.874 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.57 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.495 1.583 0 CA-C-O 120.756 0.232 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.71 -35.76 78.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.466 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 16.8 m -63.35 -46.09 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.73 -43.83 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -59.65 -41.28 90.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.451 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -59.58 -41.67 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.644 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -37.9 86.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.54 -41.36 94.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.16 -46.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.5 m -59.89 -47.53 85.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.79 -43.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.44 -31.95 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -70.63 -17.69 62.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -87.02 141.25 28.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.479 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.05 -23.75 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.86 -35.78 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.6 -43.47 97.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.71 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.92 -42.91 99.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.325 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.98 -42.15 79.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.1 -37.17 85.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -61.88 -37.13 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -69.27 -41.69 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.555 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.08 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.708 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 110.578 -179.215 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.2 m120 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.545 0.212 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.77 -20.43 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.767 2.312 . . . . 0.0 112.411 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 746' ' ' LEU . 11.0 mp -68.72 -31.41 70.46 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.357 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.63 -48.33 81.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.49 -33.71 75.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.871 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.2 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.563 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.6 87.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 63.1 p -65.09 -36.19 83.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.577 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 39.5 t -61.3 -39.36 90.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -62.98 -43.56 98.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 754' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' B' ' 758' ' ' THR . 56.5 t80 -58.29 -43.38 88.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -60.34 -40.3 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.1 -53.58 56.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -43.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.563 HG22 ' O ' ' B' ' 758' ' ' THR . 69.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.498 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.95 0.312 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 712' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' B' ' 713' ' ' LEU . 23.8 p -59.49 -48.81 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.469 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.591 ' N ' ' SG ' ' B' ' 712' ' ' CYS . 12.0 mt -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.823 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -43.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.358 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -60.32 -43.58 96.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.51 -35.91 77.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.518 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.572 ' O ' HD13 ' B' ' 717' ' ' LEU . 0.2 OUTLIER -62.81 -40.96 98.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 -179.202 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.47 -40.46 91.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.208 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 -43.51 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.7 m -60.64 -43.0 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.478 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -43.32 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.56 -35.06 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -69.44 -35.08 75.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -76.51 100.92 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -63.64 -32.7 74.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 726' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' B' ' 726' ' ' GLU . 56.1 mp0 -58.2 -37.26 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.462 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.02 -41.15 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.449 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.53 84.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.504 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.23 -40.58 94.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.08 -41.32 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.712 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.72 -49.38 76.73 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.28 -37.32 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -66.7 -37.23 84.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.55 84.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.79 179.751 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.642 0.258 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.88 -23.83 47.06 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.653 2.235 . . . . 0.0 112.763 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.1 -35.13 77.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -61.12 -46.54 90.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.631 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.69 -42.32 95.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.09 -37.47 87.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.24 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.7 m -60.89 -44.74 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -33.44 70.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 10.5 m -62.83 -37.99 88.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -39.34 75.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.7 m -57.07 -38.94 74.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.318 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -67.62 -49.54 62.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.78 -49.45 80.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.288 0.566 . . . . 0.0 110.944 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.367 -179.698 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 N--CA 1.497 1.679 0 CA-C-O 120.915 0.298 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.43 -38.65 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.31 -40.59 97.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.531 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.63 -43.16 99.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.8 -43.54 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -58.64 -46.27 87.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.447 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.59 -35.99 79.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.87 -40.59 95.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.044 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.16 -42.39 98.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.6 mt -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.9 m -62.13 -46.04 90.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -44.07 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -61.33 -30.59 70.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.37 -33.85 73.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.622 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -68.34 131.53 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -77.38 -22.61 51.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.15 -44.54 94.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -66.05 -39.54 90.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.591 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.59 88.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -61.2 -45.44 94.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.451 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.19 -47.99 83.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.11 -40.34 95.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.657 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.25 -35.89 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -62.63 -41.05 98.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.418 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.85 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.294 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.03 0.443 . . . . 0.0 110.048 -179.626 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -44.24 -32.93 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.916 2.411 . . . . 0.0 112.194 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.504 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -61.01 -34.39 74.73 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.992 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -63.47 -45.8 89.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -65.04 -39.47 93.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.072 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.71 -38.68 82.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.66 96.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.62 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 35.2 p -66.94 -36.39 82.11 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.555 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.3 t -61.6 -41.13 97.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.2 m -63.03 -45.78 90.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.789 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 754' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 54.3 t80 -57.7 -39.92 78.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.9 m -57.04 -42.49 80.58 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.298 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -68.45 -52.28 34.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.3 -45.62 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 110.577 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 44.6 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.234 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo . . . . . 0 N--CA 1.495 1.576 0 CA-C-O 120.781 0.242 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.36 -39.33 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.669 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.3 -38.74 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.22 -40.99 99.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.34 -43.77 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -59.87 -45.57 92.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.98 -38.87 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.98 -41.15 97.7 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.23 -42.74 81.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.373 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.47 -41.44 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -56.33 -35.72 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.47 -44.15 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.59 -39.55 84.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 723' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 67.1 t0 -68.89 -35.84 77.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -83.04 103.4 12.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.007 0.432 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.15 -33.43 75.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.671 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.14 -44.29 87.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.47 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -63.16 -43.6 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.67 91.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.56 -43.94 97.94 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.71 -44.47 96.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -45.15 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.95 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.94 -37.3 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.706 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.54 -43.52 98.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.91 81.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 179.782 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -45.21 -33.51 8.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -59.15 -35.37 73.39 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.68 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.43 -46.18 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.97 -40.72 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.396 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.46 -39.99 89.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.599 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.44 86.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.1 m -61.38 -41.81 97.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.607 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.6 t -57.98 -42.49 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.5 m -64.14 -46.35 84.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.798 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -62.06 -34.7 76.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.149 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 13.8 m -58.41 -42.19 86.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.459 . . . . 0.0 110.045 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.8 -44.97 91.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.242 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.51 -46.1 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.506 0.67 . . . . 0.0 111.287 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.249 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.785 0.244 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.68 -33.68 71.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -41.75 95.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.531 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.59 -41.78 99.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.17 -43.57 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -57.93 -45.16 87.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.65 -38.41 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.22 -39.07 81.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.94 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.48 -38.65 88.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.263 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.55 -43.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -62.58 -45.23 93.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.548 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.98 -43.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.448 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.96 -19.92 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -85.85 151.03 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -68.53 -20.29 64.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.41 -34.37 70.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.73 -45.39 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.15 -44.64 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -61.6 -42.64 99.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -57.13 -44.68 83.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.26 -39.77 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.443 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.63 -36.71 78.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.07 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.98 89.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.496 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.674 179.633 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.88 -29.01 50.32 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.657 2.238 . . . . 0.0 113.071 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -37.55 84.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.273 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -67.67 -44.29 78.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.27 -40.73 97.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.269 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.3 -43.17 92.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.76 98.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 83.7 m -63.73 -44.58 93.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -60.84 -34.1 74.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.1 m -63.53 -45.17 91.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -59.38 -43.13 92.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.4 m -61.35 -36.34 79.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.61 -47.64 74.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 757' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 758' ' ' THR . 18.3 pt -70.18 -42.32 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 757' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 N--CA 1.494 1.54 0 CA-C-O 120.936 0.307 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.81 -33.68 76.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.8 -41.66 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.48 -43.85 96.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.381 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -63.47 -47.85 80.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.13 -36.01 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.15 -40.22 95.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.43 -41.54 97.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.724 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.271 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.89 -43.5 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.41 -37.0 81.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -69.59 -34.17 73.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 724' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' B' ' 726' ' ' GLU . 80.1 mtp85 -74.54 123.7 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.486 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.32 -19.33 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.712 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 726' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' B' ' 724' ' ' ARG . 96.1 mt-10 -57.6 -43.28 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -66.4 -39.1 88.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.48 82.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.468 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.36 -43.18 98.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.93 -43.21 98.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.16 -43.85 82.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.768 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 732' ' ' GLU . . . . . 0.419 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -63.3 -39.45 94.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -35.8 82.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.31 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.07 81.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.591 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 736' ' ' ARG . . . . . 0.419 HH12 ' HB3' ' B' ' 732' ' ' GLU . 83.7 mtt85 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 744' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 744' ' ' ASN . 48.9 p-10 . . . . . 0 CA--C 1.538 0.483 0 CA-C-O 120.458 0.17 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.31 -34.12 17.91 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.566 2.177 . . . . 0.0 112.4 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.493 ' N ' HD12 ' B' ' 746' ' ' LEU . 11.1 mp -61.12 -34.4 74.92 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.073 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.19 -45.99 90.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.123 0.487 . . . . 0.0 110.702 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.49 -41.56 98.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.525 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.38 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.16 77.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 30.4 p -67.09 -36.06 81.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 15.7 m -59.66 -35.25 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.7 m -63.11 -45.63 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.836 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 754' ' ' PHE . . . . . 0.522 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 63.1 t80 -57.56 -39.3 76.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.9 m -58.18 -43.17 87.39 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -67.85 -51.99 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.64 -45.46 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.38 0.61 . . . . 0.0 110.386 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.522 ' OG1' ' CE1' ' B' ' 754' ' ' PHE . 19.2 m . . . . . 0 C--N 1.316 -0.871 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.072 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.858 0.274 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.69 -39.34 88.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.65 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.06 -44.0 97.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.69 -43.72 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -60.62 -41.93 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -64.34 -36.76 85.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.314 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.18 -41.92 97.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.155 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.97 -41.14 97.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.434 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.5 -43.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.138 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.3 m -61.71 -45.13 95.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.22 -43.46 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -63.06 -34.5 77.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.509 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.4 -19.32 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -84.68 138.7 32.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.96 0.409 . . . . 0.0 110.554 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -76.63 -21.09 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.31 -40.47 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.342 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.77 -46.77 89.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.603 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.04 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -63.17 -44.09 96.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.703 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.2 -45.41 94.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.37 -48.53 81.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.517 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -65.35 -35.84 82.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -47.81 84.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.132 0.492 . . . . 0.0 110.353 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.96 96.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.672 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -45.64 -35.43 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.599 2.199 . . . . 0.0 112.558 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.526 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -63.04 -35.76 81.3 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.252 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.72 -43.4 96.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.715 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 748' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.7 mttm -60.84 -38.84 86.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.227 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -57.65 -32.47 67.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.31 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 751' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 72.0 p -62.7 -34.23 76.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 42.4 t -56.78 -43.1 80.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.225 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 98.6 m -64.15 -45.78 86.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 754' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 758' ' ' THR . 51.9 m-85 -64.81 -36.1 83.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.384 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.3 m -57.26 -40.23 77.25 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.564 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -63.08 -43.83 97.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.19 -51.1 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.327 0.584 . . . . 0.0 110.798 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 758' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 754' ' ' PHE . 32.7 m . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.33 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo . . . . . 0 N--CA 1.494 1.504 0 CA-C-O 120.891 0.288 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.71 -29.8 54.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.509 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 71.3 m -61.59 -46.5 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.513 ' N ' HD22 ' B' ' 713' ' ' LEU . 4.0 mm? -64.02 -42.69 97.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.71 -44.52 98.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.178 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -57.74 -38.88 76.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.97 -42.62 94.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.275 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 718' ' ' LEU . 4.1 mm? -62.3 -41.7 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.74 -43.45 97.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.329 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.2 m -60.9 -45.07 96.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.424 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.12 -35.97 76.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.28 -18.84 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.623 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -85.79 145.99 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -64.87 -22.53 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.25 -34.65 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 727' ' ' PHE . . . . . 0.409 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 78.5 t80 -60.38 -46.09 91.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.27 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.071 0.462 . . . . 0.0 110.505 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.16 -43.01 99.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.171 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 731' ' ' GLU . . . . . 0.409 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 70.3 mt-10 -56.84 -37.37 71.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.325 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 732' ' ' GLU . . . . . 0.469 ' C ' ' HE ' ' B' ' 736' ' ' ARG . 94.2 mt-10 -63.08 -36.31 83.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 733' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' B' ' 736' ' ' ARG . 80.6 mm-40 -67.87 -34.73 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.28 -47.22 86.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.753 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.23 -43.7 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.924 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 736' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' B' ' 733' ' ' GLU . 86.9 mtm180 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.256 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 744' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 747' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.873 0.368 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.28 -44.37 29.32 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.265 1.977 . . . . 0.0 113.085 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 746' ' ' LEU . 10.2 mp -62.62 -27.39 69.18 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.343 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 747' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 50.7 t80 -65.77 -45.45 82.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.095 0.474 . . . . 0.0 110.686 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.33 -39.81 94.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.86 -32.63 74.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.782 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.17 -51.87 67.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 2.0 t -68.86 -37.18 78.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.686 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 16.1 m -57.28 -34.99 69.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.55 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.4 m -63.65 -44.75 92.9 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.93 -42.74 85.48 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.158 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.1 m -62.08 -36.16 80.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -65.32 -46.73 79.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.564 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.87 -48.66 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 111.084 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.41 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 N--CA 1.494 1.531 0 CA-C-O 120.963 0.318 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -50.89 -24.2 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.97 -46.0 75.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.045 0.45 . . . . 0.0 110.718 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.525 ' N ' HD22 ' B' ' 713' ' ' LEU . 4.0 mm? -63.62 -42.84 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.23 -43.06 95.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.029 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -55.48 -39.29 70.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -58.86 -42.58 89.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.32 -39.35 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.3 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.02 -40.12 92.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.125 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.5 -44.01 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.3 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.0 m -62.83 -45.95 90.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.651 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.43 -43.61 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.375 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.85 -34.17 75.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.68 -34.74 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.16 118.22 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.15 -33.12 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 727' ' ' PHE . . . . . 0.53 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 80.2 t80 -60.86 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.72 94.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.55 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.1 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -59.8 -45.82 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.29 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 731' ' ' GLU . . . . . 0.53 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 97.0 mt-10 -63.5 -47.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.87 -35.38 80.93 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.79 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.477 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.35 95.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.552 0.215 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.88 -22.7 55.8 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.533 2.155 . . . . 0.0 112.627 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 746' ' ' LEU . . . . . 0.536 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.2 mm? -63.11 -37.83 88.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.16 -45.47 91.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.69 -40.64 95.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.99 -36.72 84.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.56 94.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 751' ' ' THR . . . . . 0.494 ' O ' HG23 ' B' ' 755' ' ' THR . 25.0 p -66.53 -34.93 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 752' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' B' ' 755' ' ' THR . 6.4 t -57.71 -43.02 84.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.319 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.0 m -65.31 -49.19 70.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -61.56 -38.83 88.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 755' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 751' ' ' THR . 17.6 p -61.79 -34.67 76.32 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.004 0.431 . . . . 0.0 110.361 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.39 -45.91 78.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.01 -47.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-O 121.326 0.584 . . . . 0.0 111.356 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.163 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.07 -30.71 79.94 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.91 2.407 . . . . 0.0 111.946 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -62.11 -36.76 82.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.9 m -64.67 -42.0 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.06 -44.4 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.055 0.455 . . . . 0.0 110.522 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.68 -42.94 96.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.306 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.42 ' CH2' HD11 ' B' ' 719' ' ' ILE . 37.0 t90 -54.88 -38.93 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.92 -40.82 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.68 -38.04 86.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.47 -40.54 94.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.348 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.42 HD11 ' CH2' ' B' ' 715' ' ' TRP . 68.4 mt -61.84 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 98.1 m -63.02 -45.83 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.735 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.85 -43.52 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.66 -34.32 75.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -68.7 -36.04 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.451 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -69.23 117.15 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.37 -29.4 69.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.59 -33.94 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.426 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.498 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 64.8 t80 -60.71 -46.06 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.28 -37.94 87.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.88 -37.22 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 731' ' ' GLU . . . . . 0.498 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.3 mt-10 -58.42 -49.33 77.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.81 -35.21 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.82 -40.13 96.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.7 -43.7 97.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.07 93.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -65.32 -40.39 93.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -79.62 15.18 1.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.621 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -85.96 16.07 4.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.943 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -73.92 -32.33 63.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.23 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.02 160.3 24.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.261 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 18.2 p -83.9 -23.48 31.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.69 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.37 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -93.97 -1.17 55.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -83.18 146.53 51.51 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -46.65 -34.02 14.54 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.552 2.168 . . . . 0.0 112.413 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -56.69 -36.79 70.04 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.821 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -62.24 -46.05 90.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.598 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.68 -41.55 95.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.412 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.31 -40.65 82.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.11 90.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.7 m -63.07 -44.72 94.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -60.51 -35.25 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 82.4 m -63.43 -46.94 84.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.98 -41.36 91.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.7 m -55.19 -39.28 69.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.287 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.67 -49.66 67.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.95 -49.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.091 0.472 . . . . 0.0 110.932 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -10.85 22.89 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.281 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -159.12 77.52 0.73 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.727 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -82.54 -126.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.41 93.55 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.568 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.96 -20.19 51.34 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.813 2.342 . . . . 0.0 111.947 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.589 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.57 -38.95 92.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.8 mp -62.77 -41.91 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -43.86 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.441 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -60.16 -42.75 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.98 -36.23 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.88 -40.8 96.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.266 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -41.24 95.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.361 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.68 -43.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.452 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.3 m -60.36 -48.16 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.614 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.37 -43.59 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.716 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.04 -34.7 76.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -69.11 -36.17 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.63 104.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.695 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.49 -35.0 79.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -58.22 -36.85 73.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.523 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 85.4 t80 -60.83 -47.72 85.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.562 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.92 87.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.447 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.84 -42.51 99.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -59.76 -44.26 93.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.266 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 731' ' ' GLU . . . . . 0.523 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.2 mt-10 -61.09 -45.66 93.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.778 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.47 -41.94 92.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.56 -38.62 87.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.76 -42.61 99.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 110.412 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.17 94.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.95 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.569 ' O ' ' CE2' ' B' ' 739' ' ' TRP . 4.7 ptt-85 -69.39 -34.96 75.3 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.996 0.427 . . . . 0.0 110.256 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -97.72 33.66 2.03 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.477 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 27.5 ttpt -88.21 15.71 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.852 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.569 ' CE2' ' O ' ' B' ' 736' ' ' ARG . 1.7 p90 -147.68 -36.35 0.21 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.568 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' B' ' 741' ' ' THR . 38.9 t0 -49.48 -178.58 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.08 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.484 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 4.9 t -55.61 -13.54 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -58.64 -24.91 62.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 5.2 m120 -89.13 -2.12 58.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.194 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -75.55 134.76 72.54 Favored Pre-proline 0 N--CA 1.447 -0.59 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -46.09 -35.46 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.694 2.263 . . . . 0.0 112.527 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.531 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -61.81 -31.86 72.12 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.441 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.87 -46.26 90.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.678 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -42.27 97.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.383 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.98 -39.43 89.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.0 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.534 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 80.8 m -62.42 -44.99 95.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.693 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 38.7 t -61.55 -36.44 80.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.5 m -63.26 -44.37 95.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.658 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.95 -37.1 75.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.434 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -57.59 -42.12 82.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 759' ' ' TYR . 23.3 t-20 -64.72 -47.28 78.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.7 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.93 -48.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -15.24 63.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.418 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' B' ' 756' ' ' ASN . 71.7 t80 -155.8 117.91 4.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.794 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 760' ' ' ARG . 13.6 ttp85 -137.34 39.81 2.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.659 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.52 68.52 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.553 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.05 -37.92 79.7 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.764 2.309 . . . . 0.0 112.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.57 -41.88 96.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.7 -38.49 91.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.0 tt -62.53 -44.06 97.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.961 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.09 -44.34 99.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.447 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.4 -45.16 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.39 -35.86 81.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.412 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.165 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.39 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.669 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.44 -43.88 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.139 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -62.58 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.65 -43.14 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -59.26 -29.71 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.14 -9.1 57.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -76.67 138.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -71.69 -35.67 70.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.641 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.85 -39.21 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.01 -44.41 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.04 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.57 -43.27 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.685 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.75 -43.48 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -57.52 -43.21 84.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.23 -41.38 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.35 -34.55 78.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.59 -44.18 96.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.75 92.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' B' ' 738' ' ' LYS . 17.0 mmm180 -65.18 -38.34 90.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -72.86 13.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.524 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.589 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 71.9 tttt -93.29 20.79 6.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -129.29 19.1 5.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.97 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' B' ' 742' ' ' ALA . 97.0 m-20 -80.06 -178.92 6.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.118 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 18.1 p -50.61 -15.34 0.26 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' B' ' 740' ' ' ASP . . . -59.75 -24.53 64.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.745 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' B' ' 738' ' ' LYS . 75.1 m-20 -89.88 -9.48 48.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.98 145.43 65.67 Favored Pre-proline 0 N--CA 1.454 -0.252 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.448 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 -19.67 54.41 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.378 2.052 . . . . 0.0 112.215 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.544 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -67.97 -33.92 75.57 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.82 -46.8 87.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 111.438 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' B' ' 751' ' ' THR . 12.6 pttm -65.35 -35.08 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.208 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.711 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.06 90.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.759 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 31.9 p -66.06 -35.43 80.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.723 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 755' ' ' THR . 11.6 t -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.1 m -64.11 -46.3 84.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.749 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.37 -43.72 96.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 752' ' ' SER . 23.5 p -57.06 -34.47 68.28 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -67.43 -48.69 66.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.707 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.16 -48.49 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 111.152 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -11.31 4.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.155 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 88.4 t80 -111.12 70.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.819 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -139.22 102.35 4.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 84.6 11.86 76.48 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.5 179.819 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.437 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 76.5 p . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' B' ' 709' ' ' SER . 41.6 Cg_endo -67.26 144.24 67.63 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.743 2.295 . . . . 0.0 112.136 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -43.73 -29.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 89.2 m -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 710' ' ' PRO . 48.3 tp -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 714' ' ' ILE . . . . . 0.681 ' N ' HD12 ' B' ' 714' ' ' ILE . 2.2 mp -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -57.08 -43.71 82.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.412 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -61.79 -38.1 86.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.35 -40.19 89.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.395 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.603 ' O ' HD13 ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.63 -42.35 98.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 0.0 110.465 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.25 -44.28 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.322 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.8 m -61.64 -44.92 96.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -43.4 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.454 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -65.89 -28.24 68.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.19 -16.68 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -81.08 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -65.47 -36.96 85.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.0 -35.47 71.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.477 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -61.23 -45.16 95.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.332 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.19 83.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.85 -43.39 98.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.763 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -61.35 -41.66 97.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.44 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.29 -40.96 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.1 -42.59 99.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 733' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 737' ' ' ALA . 96.2 mt-10 -66.99 -34.34 77.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.095 0.474 . . . . 0.0 110.476 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -67.1 -43.1 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.446 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -68.13 -49.13 63.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -66.52 -34.79 78.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.398 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 737' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 733' ' ' GLU . . . -105.2 43.44 1.11 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.087 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -78.02 15.81 0.84 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.404 ' H ' ' C ' ' B' ' 737' ' ' ALA . 3.8 m-90 -91.25 45.86 1.27 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.525 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' B' ' 741' ' ' THR . 44.5 t0 -118.87 -177.23 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.418 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.512 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 15.5 m -45.57 -16.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.345 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -61.77 -27.15 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.581 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -84.02 -15.79 46.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -70.96 144.89 90.93 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.38 -27.35 40.28 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.593 2.195 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.15 -33.74 75.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.396 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.69 -46.02 91.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.721 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -62.91 -41.69 99.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -58.6 -40.52 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.489 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.41 89.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.519 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 18.9 m -61.59 -44.2 97.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.5 t -59.14 -40.27 84.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -63.3 -45.0 93.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.18 -40.71 86.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.2 m -55.77 -38.92 70.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -66.2 -48.98 68.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.2 mt -66.53 -50.14 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.019 0.437 . . . . 0.0 110.874 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -14.05 40.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.525 ' CD2' ' N ' ' B' ' 760' ' ' ARG . 73.9 t80 -165.73 -100.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.778 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.525 ' N ' ' CD2' ' B' ' 759' ' ' TYR . 38.0 ttm-85 -164.72 126.34 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -65.96 77.05 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.54 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.74 159.02 54.05 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.77 2.313 . . . . 0.0 112.038 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.74 -35.23 72.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.391 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.7 m -60.08 -41.36 92.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.17 -42.73 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.01 -44.35 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -64.7 -45.64 85.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -62.98 -38.15 90.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.32 -42.64 91.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.064 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.87 -42.07 97.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.82 -43.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.331 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.1 m -60.71 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.43 -44.0 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.22 -33.22 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -19.0 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.692 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.26 126.77 35.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.493 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.14 -20.94 54.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -62.96 -35.49 80.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.327 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.487 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 63.1 t80 -60.63 -46.97 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.77 83.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -43.67 94.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.669 0.271 . . . . 0.0 110.396 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.05 -43.77 98.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.261 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 731' ' ' GLU . . . . . 0.487 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 96.4 mt-10 -59.05 -46.81 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.754 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.73 -42.16 98.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.46 -36.58 81.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -60.7 -44.0 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 735' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' B' ' 738' ' ' LYS . . . -63.39 -41.31 98.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.78 -37.97 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.729 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 737' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -81.87 27.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 735' ' ' ALA . 52.6 mmtt -79.31 23.17 0.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.431 ' H ' ' C ' ' B' ' 737' ' ' ALA . 4.9 t90 -108.77 11.81 26.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.16 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -128.7 178.07 6.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.071 0.463 . . . . 0.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 10.3 p -88.16 -16.95 32.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -60.76 -22.24 63.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.85 -4.97 49.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.659 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -75.27 145.37 79.94 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.05 -18.83 46.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.608 2.205 . . . . 0.0 112.412 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.62 -25.63 38.27 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.62 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -64.99 -47.95 75.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.61 -36.16 81.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.24 -37.57 87.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.84 99.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 32.9 p -67.5 -35.94 80.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.1 t -60.82 -41.23 95.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.7 m -63.1 -45.31 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.624 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.37 -40.63 87.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.3 m -55.67 -39.94 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.388 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' B' ' 759' ' ' TYR . 39.4 t30 -64.75 -46.14 83.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.779 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.04 -49.45 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.11 0.481 . . . . 0.0 111.262 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -14.51 31.06 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 756' ' ' ASN . 83.7 t80 -145.94 109.42 4.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.941 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' B' ' 760' ' ' ARG . 15.4 ttp85 -152.9 26.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.659 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -62.31 -28.17 70.49 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.405 ' H ' HG23 ' B' ' 762' ' ' THR . 29.1 p . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.646 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.423 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 12.3 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' B' ' 709' ' ' SER . 41.1 Cg_endo -66.78 -21.5 51.03 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.752 2.301 . . . . 0.0 111.981 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.07 -33.9 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.2 m -64.15 -38.87 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -44.63 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -61.52 -48.95 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.92 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.85 -40.04 91.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -37.69 86.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.426 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.15 -43.88 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.247 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.7 m -63.27 -45.07 93.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.794 0.33 . . . . 0.0 110.656 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.58 -41.95 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.309 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -57.22 -28.64 63.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 55.1 t0 -71.48 -9.06 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -81.64 146.56 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -75.02 -24.75 58.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.492 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.87 -40.8 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.41 -44.66 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.497 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.14 -42.55 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.66 -43.76 97.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.274 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -57.89 -43.45 86.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.75 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -37.49 86.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.506 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -61.33 -44.3 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.92 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' B' ' 738' ' ' LYS . 99.6 mtt180 -61.67 -29.45 70.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.665 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -67.85 9.16 0.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.812 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' B' ' 736' ' ' ARG . 73.5 tttt -96.99 13.35 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.593 . . . . 0.0 110.822 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.432 ' O ' ' O ' ' B' ' 740' ' ' ASP . 6.0 t90 -92.56 23.0 4.25 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' B' ' 742' ' ' ALA . 54.5 p-10 -49.09 -179.06 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.201 0.524 . . . . 0.0 110.321 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 13.1 t -51.07 -27.51 8.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.7 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' B' ' 740' ' ' ASP . . . -59.45 -25.41 64.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.816 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 9.4 m120 -100.18 -14.21 18.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -61.61 147.21 88.93 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.569 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -45.83 -34.09 11.62 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.655 2.237 . . . . 0.0 112.159 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 62.5 mt -56.42 -34.09 66.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.118 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.75 -46.08 91.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -65.53 -40.79 93.32 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.1 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -57.44 -32.52 66.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.45 81.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.604 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 21.9 p -67.09 -36.01 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.712 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 36.7 t -59.28 -31.25 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.2 m -62.65 -45.11 94.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.23 -40.01 84.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.6 m -55.72 -42.77 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.271 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.57 -47.88 79.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.64 -46.74 88.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.179 0.514 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -13.86 62.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.011 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.445 ' CD1' HG23 ' B' ' 762' ' ' THR . 78.9 t80 53.03 97.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.991 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.85 -68.63 0.33 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.195 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.27 -39.46 97.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.445 HG23 ' CD1' ' B' ' 759' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.19 136.61 74.09 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.62 2.213 . . . . 0.0 112.206 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 711' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 711' ' ' GLU . 58.5 mp0 -69.24 -32.76 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.524 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 75.1 m -60.43 -44.7 95.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.16 -42.51 96.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.821 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.67 -43.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -63.55 -48.83 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.12 -36.23 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.86 -41.01 95.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.377 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.33 -41.46 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.26 -43.97 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.1 m -61.49 -45.4 94.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.37 -43.75 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.33 -33.34 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.7 t0 -68.8 -35.9 77.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -67.32 131.27 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -77.14 -19.27 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.677 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -57.84 -45.4 86.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.36 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -63.98 -44.47 92.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.646 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.42 -43.9 96.29 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.9 -45.31 95.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.5 -46.41 90.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 732' ' ' GLU . . . . . 0.448 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -64.96 -39.04 92.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.03 -35.17 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -62.25 -41.63 98.6 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.39 88.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' B' ' 738' ' ' LYS . 84.5 mtt85 -67.08 -37.03 83.26 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -69.24 7.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.154 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' B' ' 736' ' ' ARG . 99.0 mttt -109.76 23.73 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -132.55 -20.04 2.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.583 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -161.87 167.73 24.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.076 0.465 . . . . 0.0 110.406 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 4.7 m -88.28 -24.27 23.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.19 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -96.12 3.06 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -69.73 146.42 95.68 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.56 -23.55 49.76 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.506 2.137 . . . . 0.0 112.501 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.13 -26.39 56.3 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -62.82 -49.02 76.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.962 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.51 -34.35 75.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.66 -32.91 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.557 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.54 82.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 40.8 p -67.13 -38.47 85.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 95.8 p -62.38 -31.01 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.1 m -63.26 -45.59 90.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.723 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.32 -40.56 86.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.6 m -56.5 -39.96 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.32 -46.41 83.66 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.752 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -69.97 -48.13 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 111.123 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -14.03 30.5 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.369 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.518 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 93.3 t80 -86.31 2.61 46.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' B' ' 759' ' ' TYR . 2.4 tpm_? 58.14 116.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -65.84 -38.05 93.95 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.589 -179.892 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.4 144.61 99.36 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.709 2.273 . . . . 0.0 112.06 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.37 -38.94 88.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.615 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.53 -39.26 93.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.473 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.54 -42.3 99.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.219 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -56.17 -40.8 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.03 -35.06 78.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.379 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.577 ' O ' HD13 ' B' ' 717' ' ' LEU . 0.2 OUTLIER -60.23 -43.35 96.11 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.415 -179.045 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.438 ' N ' HD12 ' B' ' 718' ' ' LEU . 11.1 mp -63.04 -40.11 96.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.14 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.54 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.014 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.0 m -61.14 -43.57 98.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.41 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.283 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.79 -26.77 67.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.854 0.359 . . . . 0.0 110.63 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -72.65 -7.57 51.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -84.29 134.34 34.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -64.97 -39.52 93.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.36 -45.52 88.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.612 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -68.28 -38.18 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.646 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.67 89.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -39.91 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -66.75 -38.73 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.685 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -59.02 -49.12 79.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.87 -38.32 86.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.962 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.74 -35.65 80.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.56 -44.97 95.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.46 87.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.5 ' C ' ' H ' ' B' ' 738' ' ' LYS . 99.8 mtt180 -65.93 -37.13 85.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -71.85 18.69 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' B' ' 736' ' ' ARG . 69.1 mmtt -97.89 11.4 37.51 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -56.03 -13.9 2.25 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 742' ' ' ALA . 28.0 t70 -72.41 -177.82 2.33 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.206 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.485 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 5.7 t -44.19 -16.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 0.0 110.592 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -58.92 -20.81 55.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -94.78 -5.01 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.717 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.27 145.95 98.73 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.13 -31.21 45.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.649 2.233 . . . . 0.0 112.565 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -32.04 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -62.9 -45.84 90.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.685 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -63.72 -43.33 96.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.26 -39.35 86.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.97 82.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.485 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.5 m -61.02 -45.41 94.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.424 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 74.8 m -60.12 -37.96 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 96.6 m -63.54 -44.48 94.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 36.5 t80 -58.98 -43.28 91.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.44 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.8 m -61.32 -36.16 79.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.89 0.376 . . . . 0.0 110.741 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -60.92 -43.05 99.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.99 -46.72 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.663 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 99.8 m -63.19 -19.06 64.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.446 ' CZ ' ' OG1' ' B' ' 762' ' ' THR . 82.8 t80 -149.48 117.14 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.601 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 -71.21 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.662 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -64.76 -39.78 96.89 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.446 ' OG1' ' CZ ' ' B' ' 759' ' ' TYR . 32.8 m . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.485 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.96 150.83 81.98 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 123.053 2.502 . . . . 0.0 111.996 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.92 -33.18 75.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.02 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.622 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.0 mp -64.12 -41.66 97.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.671 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.57 -43.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.416 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.03 -43.86 91.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -61.29 -40.74 95.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.25 -37.54 85.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.276 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.91 -46.63 96.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.6 m -62.27 -45.01 95.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 721' ' ' ILE . . . . . 0.412 HG23 ' CG ' ' B' ' 727' ' ' PHE . 97.9 mt -62.85 -43.53 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -60.55 -36.78 79.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.476 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -70.52 -18.6 62.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -91.69 105.04 17.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.55 -36.66 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.6 -40.71 83.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.412 ' CG ' HG23 ' B' ' 721' ' ' ILE . 16.2 t80 -62.61 -43.56 98.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.33 72.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.449 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.42 -43.02 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -62.11 -42.16 98.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.346 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.19 -43.01 82.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.25 -42.37 98.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.15 -39.35 89.74 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.35 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -70.14 -41.64 73.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.54 -26.02 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -57.71 -31.02 65.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.248 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -87.22 12.26 12.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.544 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 72.8 tttt -93.57 20.94 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.544 ' O ' ' CG ' ' B' ' 739' ' ' TRP . 75.4 t-105 -80.87 11.08 4.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' B' ' 742' ' ' ALA . 42.9 t0 -74.99 -178.92 4.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.475 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 2.8 t -47.32 -13.75 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' B' ' 740' ' ' ASP . . . -65.01 -18.94 65.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.766 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' B' ' 738' ' ' LYS . 60.7 m-20 -102.17 5.97 40.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -76.81 146.99 77.07 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.47 -35.07 11.65 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.692 2.261 . . . . 0.0 112.414 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 746' ' ' LEU . 10.8 mp -61.2 -32.46 72.21 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -60.89 -46.04 92.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.93 -41.58 95.42 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.048 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.31 -39.42 82.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.03 87.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 89.4 m -60.56 -42.94 97.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -55.53 -41.0 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.381 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.8 m -64.74 -45.18 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.539 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' B' ' 758' ' ' THR . 41.9 m-85 -63.44 -35.21 79.69 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.356 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.4 m -58.74 -40.8 84.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.978 0.418 . . . . 0.0 110.715 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.36 -42.63 99.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.489 ' C ' ' H ' ' B' ' 759' ' ' TYR . 1.3 mt -89.32 -50.5 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.512 ' N ' ' O ' ' B' ' 754' ' ' PHE . 29.6 m -55.71 -4.16 0.1 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.525 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' B' ' 757' ' ' ILE . 54.7 t80 -147.92 76.41 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.394 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -95.78 6.55 48.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 84.27 14.61 71.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 65.6 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.471 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 26.3 p . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 709' ' ' SER . 45.5 Cg_endo -68.39 157.04 63.51 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.825 2.35 . . . . 0.0 112.0 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 711' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' B' ' 711' ' ' GLU . 1.6 pm0 -54.78 -26.03 31.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.1 m -65.64 -43.63 88.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.498 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.5 tt -62.78 -45.66 91.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.206 0.527 . . . . 0.0 110.356 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.22 -43.58 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -57.42 -41.14 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.34 -38.82 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -38.38 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.98 -41.36 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.52 -46.83 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.9 m -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.23 -43.95 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.33 -27.67 69.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.4 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.95 -9.03 57.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.84 127.84 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -66.26 -36.03 81.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.51 -46.06 87.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.568 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -68.6 -38.67 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.706 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.83 86.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.463 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.32 -45.08 94.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.542 0.21 . . . . 0.0 110.659 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.52 -44.51 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.442 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.11 -46.41 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -64.32 -36.17 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -65.56 -37.79 87.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -61.84 -44.01 97.69 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.19 86.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.39 -38.91 92.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 737' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -91.0 34.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.584 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -71.35 10.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.194 0.521 . . . . 0.0 111.311 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.501 ' CE3' ' O ' ' B' ' 739' ' ' TRP . 48.7 t90 -78.43 15.55 0.97 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.465 ' C ' ' N ' ' B' ' 742' ' ' ALA . 40.4 t0 -79.56 -178.7 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.461 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 6.1 t -45.65 -18.13 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.142 0.496 . . . . 0.0 110.448 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' B' ' 740' ' ' ASP . . . -62.96 -14.63 49.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.221 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -61.77 146.42 90.79 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.74 -23.21 56.18 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.638 2.225 . . . . 0.0 112.304 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.544 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -64.25 -33.76 76.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.404 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -76.95 -42.63 38.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.631 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -64.38 -49.8 70.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 750' ' ' ALA . 2.0 pp20? -63.18 -36.81 84.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.127 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' B' ' 749' ' ' GLU . . . -68.01 -38.06 82.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.508 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.6 m -62.36 -44.25 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.529 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 89.6 p -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 16.2 m -63.29 -44.83 93.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.81 -40.91 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.9 m -55.78 -40.26 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.182 0.515 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.89 -47.29 78.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.4 -49.6 64.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.025 0.441 . . . . 0.0 110.914 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -15.05 44.1 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 94.1 t80 -100.22 6.3 44.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.224 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.417 HH11 ' HG3' ' B' ' 760' ' ' ARG . 37.4 ttm-85 -49.46 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 761' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 762' ' ' THR . . . -158.8 -75.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.426 ' O ' ' O ' ' B' ' 761' ' ' GLY . 57.8 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' B' ' 710' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' B' ' 709' ' ' SER . 35.8 Cg_exo -58.89 144.98 98.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.589 2.192 . . . . 0.0 112.182 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.14 -34.77 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.418 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 97.4 m -62.84 -42.94 99.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.581 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.34 -43.76 96.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.63 -43.52 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -61.67 -42.6 99.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.76 -37.38 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -41.29 97.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.82 -39.18 93.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.619 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.5 -44.48 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.249 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 22.6 m -62.68 -48.82 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.19 -43.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.68 -35.95 79.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.23 -35.23 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.29 98.17 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.59 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.97 -31.69 72.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.92 -32.54 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -59.12 -46.29 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.65 99.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.33 -40.44 96.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.35 -41.34 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.4 -50.07 74.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.69 -38.55 83.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 733' ' ' GLU . . . . . 0.509 ' CG ' HH21 ' B' ' 736' ' ' ARG . 92.7 mt-10 -66.93 -38.43 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -60.85 -44.42 97.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.525 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.73 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.509 HH21 ' CG ' ' B' ' 733' ' ' GLU . 84.7 mtm180 -64.72 -36.43 84.25 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.735 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -83.9 1.38 43.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -101.23 44.0 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 70.5 m95 54.09 101.99 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' B' ' 741' ' ' THR . 42.3 t0 -65.89 176.8 1.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.128 0.49 . . . . 0.0 110.422 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.516 HG23 ' N ' ' B' ' 742' ' ' ALA . 15.3 t -62.38 -42.12 99.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.587 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.516 ' N ' HG23 ' B' ' 741' ' ' THR . . . -63.2 -30.31 71.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -94.47 -2.3 52.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.455 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -83.04 145.43 49.4 Favored Pre-proline 0 N--CA 1.452 -0.326 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -47.37 -34.79 19.73 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.36 -34.01 60.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.309 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.3 -46.43 88.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.35 92.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.55 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.62 -39.0 79.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.523 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.7 88.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.44 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.6 m -63.58 -45.7 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' B' ' 755' ' ' THR . 38.4 m -63.91 -31.52 72.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.0 m -62.73 -43.77 97.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' B' ' 758' ' ' THR . 46.3 t80 -58.84 -43.37 90.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 752' ' ' SER . 22.2 p -65.02 -34.18 77.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -62.14 -42.43 99.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -50.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.071 0.462 . . . . 0.0 110.294 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.588 HG21 ' CE2' ' B' ' 754' ' ' PHE . 11.7 m -61.54 -43.32 99.07 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.57 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.43 ' O ' ' CB ' ' B' ' 760' ' ' ARG . 66.9 t80 58.06 118.21 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' B' ' 759' ' ' TYR . 16.4 ttt-85 76.89 25.56 0.83 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.671 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.0 -27.36 70.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.653 -179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.417 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 47.0 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' B' ' 709' ' ' SER . 40.8 Cg_endo -67.88 -19.41 46.51 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.771 2.314 . . . . 0.0 111.972 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.71 -35.76 78.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.466 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 16.8 m -63.35 -46.09 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.73 -43.83 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -59.65 -41.28 90.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.451 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -59.58 -41.67 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.644 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -37.9 86.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.54 -41.36 94.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.16 -46.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.5 m -59.89 -47.53 85.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.79 -43.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.44 -31.95 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -70.63 -17.69 62.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -87.02 141.25 28.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.479 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.05 -23.75 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.86 -35.78 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.6 -43.47 97.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.71 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.92 -42.91 99.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.325 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.98 -42.15 79.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.1 -37.17 85.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -61.88 -37.13 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -69.27 -41.69 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.555 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.08 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.708 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -63.26 -26.59 68.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 110.578 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.92 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.399 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -83.78 31.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.613 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.42 ' O ' ' O ' ' B' ' 740' ' ' ASP . 60.4 m95 -100.27 -1.57 35.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.053 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 741' ' ' THR . 44.3 t0 -49.04 179.68 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.476 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 25.7 p -71.23 -24.18 62.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.66 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -59.99 -24.05 64.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -93.71 -7.19 44.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.525 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -82.98 145.81 50.48 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.702 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.77 -20.43 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.767 2.312 . . . . 0.0 112.411 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 746' ' ' LEU . 11.0 mp -68.72 -31.41 70.46 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.357 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.63 -48.33 81.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.49 -33.71 75.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.871 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.2 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.563 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.6 87.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 63.1 p -65.09 -36.19 83.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.577 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 39.5 t -61.3 -39.36 90.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -62.98 -43.56 98.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' B' ' 758' ' ' THR . 56.5 t80 -58.29 -43.38 88.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -60.34 -40.3 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.1 -53.58 56.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' B' ' 759' ' ' TYR . 0.1 OUTLIER -74.16 -43.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.563 HG22 ' O ' ' B' ' 758' ' ' THR . 69.1 m -64.98 -1.37 2.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.498 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.45 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 53.2 t80 -130.6 49.24 2.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.761 HH11 ' H ' ' B' ' 760' ' ' ARG . 0.0 OUTLIER -62.88 -2.22 1.13 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 761' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' B' ' 759' ' ' TYR . . . -58.08 -27.84 60.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.59 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.22 144.57 80.85 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.742 2.295 . . . . 0.0 112.154 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 712' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' B' ' 713' ' ' LEU . 23.8 p -59.49 -48.81 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.469 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.591 ' N ' ' SG ' ' B' ' 712' ' ' CYS . 12.0 mt -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.823 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -43.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.358 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -60.32 -43.58 96.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.51 -35.91 77.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.518 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.572 ' O ' HD13 ' B' ' 717' ' ' LEU . 0.2 OUTLIER -62.81 -40.96 98.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 -179.202 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.47 -40.46 91.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.208 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 -43.51 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.7 m -60.64 -43.0 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.478 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -43.32 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.56 -35.06 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -69.44 -35.08 75.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -76.51 100.92 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -63.64 -32.7 74.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' B' ' 726' ' ' GLU . 56.1 mp0 -58.2 -37.26 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.462 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.02 -41.15 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.449 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.53 84.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.504 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.23 -40.58 94.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.08 -41.32 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.712 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.72 -49.38 76.73 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.28 -37.32 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -66.7 -37.23 84.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.55 84.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 83.6 mtt85 -67.58 -18.01 64.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.79 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -97.4 27.6 4.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.77 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -109.3 25.97 11.18 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.706 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 53.3 t90 61.04 112.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 741' ' ' THR . 43.6 t0 -153.53 153.95 33.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.821 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.546 ' N ' ' OD1' ' B' ' 740' ' ' ASP . 9.3 m -64.15 -43.25 95.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.725 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.848 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 736' ' ' ARG . 7.2 m120 -81.02 -14.66 57.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.636 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -79.92 145.71 62.23 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.67 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.88 -23.83 47.06 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.653 2.235 . . . . 0.0 112.763 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.1 -35.13 77.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -61.12 -46.54 90.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.631 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.69 -42.32 95.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.09 -37.47 87.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.24 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.7 m -60.89 -44.74 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -33.44 70.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 10.5 m -62.83 -37.99 88.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -39.34 75.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.7 m -57.07 -38.94 74.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.318 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -67.62 -49.54 62.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.78 -49.45 80.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.288 0.566 . . . . 0.0 110.944 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 1.1 t -63.14 -12.81 30.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.367 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -115.14 92.51 3.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.789 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -162.03 114.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.625 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -151.56 28.1 0.95 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.36 -38.17 72.86 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.557 2.171 . . . . 0.0 112.077 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.43 -38.65 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.31 -40.59 97.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.531 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.63 -43.16 99.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.8 -43.54 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -58.64 -46.27 87.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.447 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.59 -35.99 79.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.87 -40.59 95.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.044 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.16 -42.39 98.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.6 mt -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.9 m -62.13 -46.04 90.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -44.07 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -61.33 -30.59 70.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.37 -33.85 73.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.622 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -68.34 131.53 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -77.38 -22.61 51.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.15 -44.54 94.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -66.05 -39.54 90.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.591 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.59 88.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -61.2 -45.44 94.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.451 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.19 -47.99 83.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.11 -40.34 95.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.657 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.25 -35.89 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -62.63 -41.05 98.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.418 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.85 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.294 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.38 -25.55 63.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.03 0.443 . . . . 0.0 110.048 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -84.21 7.67 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.014 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 97.8 mttt -85.68 16.99 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.954 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -88.97 12.32 15.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.607 ' OD1' ' HB3' ' B' ' 742' ' ' ALA . 49.0 p-10 -58.46 -178.46 0.05 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.273 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 19.4 p -49.6 -17.0 0.26 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.607 ' HB3' ' OD1' ' B' ' 740' ' ' ASP . . . -62.88 -29.62 70.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 4.6 m120 -99.75 4.29 45.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -83.01 146.89 52.89 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.409 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -44.24 -32.93 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.916 2.411 . . . . 0.0 112.194 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.504 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -61.01 -34.39 74.73 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.992 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -63.47 -45.8 89.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -65.04 -39.47 93.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.072 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.71 -38.68 82.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.66 96.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.62 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 35.2 p -66.94 -36.39 82.11 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.555 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.3 t -61.6 -41.13 97.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.2 m -63.03 -45.78 90.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.789 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 54.3 t80 -57.7 -39.92 78.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.9 m -57.04 -42.49 80.58 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.298 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -68.45 -52.28 34.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.3 -45.62 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 110.577 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 44.6 m -67.2 -4.02 9.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.234 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 75.5 t80 -123.67 19.54 9.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.484 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 139.11 -20.13 3.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.526 -179.817 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.445 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 66.9 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' B' ' 709' ' ' SER . 42.8 Cg_endo -67.01 -19.12 52.08 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.707 2.271 . . . . 0.0 111.931 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.36 -39.33 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.669 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.3 -38.74 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.22 -40.99 99.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.34 -43.77 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -59.87 -45.57 92.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.98 -38.87 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.98 -41.15 97.7 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.23 -42.74 81.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.373 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.47 -41.44 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -56.33 -35.72 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.47 -44.15 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.59 -39.55 84.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 67.1 t0 -68.89 -35.84 77.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -83.04 103.4 12.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.007 0.432 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.15 -33.43 75.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.671 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.14 -44.29 87.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.47 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -63.16 -43.6 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.67 91.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.56 -43.94 97.94 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.71 -44.47 96.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -45.15 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.95 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.94 -37.3 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.706 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.54 -43.52 98.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.91 81.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.91 -36.28 80.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -110.25 18.84 19.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -151.57 46.78 0.8 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.193 0.521 . . . . 0.0 110.495 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.445 ' CD1' ' OD1' ' B' ' 744' ' ' ASN . 1.7 t90 74.91 120.3 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.818 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' B' ' 741' ' ' THR . 28.0 t0 -126.06 -179.8 4.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.043 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.458 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 23.9 p -64.94 -30.55 71.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.85 85.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.55 2.91 56.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.099 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.445 ' OD1' ' CD1' ' B' ' 739' ' ' TRP . 52.7 m-20 -82.9 146.69 52.84 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -45.21 -33.51 8.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -59.15 -35.37 73.39 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.68 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.43 -46.18 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.97 -40.72 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.396 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.46 -39.99 89.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.599 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.44 86.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.1 m -61.38 -41.81 97.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.607 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.6 t -57.98 -42.49 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.5 m -64.14 -46.35 84.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.798 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -62.06 -34.7 76.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.149 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 13.8 m -58.41 -42.19 86.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.459 . . . . 0.0 110.045 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.8 -44.97 91.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.242 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.51 -46.1 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.506 0.67 . . . . 0.0 111.287 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -10.48 44.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.249 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.68 -45.81 88.61 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.448 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.473 ' NH1' ' C ' ' B' ' 762' ' ' THR . 0.0 OUTLIER 58.18 59.06 3.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.199 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.61 87.71 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.473 ' C ' ' NH1' ' B' ' 760' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.719 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.442 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 26.3 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' B' ' 709' ' ' SER . 38.6 Cg_endo -66.71 -20.43 52.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.712 2.275 . . . . 0.0 111.986 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.68 -33.68 71.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -41.75 95.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.531 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.59 -41.78 99.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.17 -43.57 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -57.93 -45.16 87.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.65 -38.41 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.22 -39.07 81.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.94 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.48 -38.65 88.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.263 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.55 -43.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -62.58 -45.23 93.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.548 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.98 -43.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.448 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.96 -19.92 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -85.85 151.03 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -68.53 -20.29 64.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.41 -34.37 70.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.73 -45.39 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.15 -44.64 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -61.6 -42.64 99.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -57.13 -44.68 83.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.26 -39.77 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.443 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.63 -36.71 78.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.07 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.98 89.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.496 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' B' ' 738' ' ' LYS . 95.9 mtt-85 -69.57 -36.21 76.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.674 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -73.71 11.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.106 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' B' ' 736' ' ' ARG . 89.9 mttt -79.98 19.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.781 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.545 ' O ' ' CD1' ' B' ' 739' ' ' TRP . 76.6 t-105 -98.91 13.44 32.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 742' ' ' ALA . 41.5 p-10 -53.83 -179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.472 . . . . 0.0 110.267 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.507 ' O ' ' OD1' ' B' ' 744' ' ' ASN . 2.1 t -50.75 -16.64 0.42 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.495 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.531 ' HB3' ' OD1' ' B' ' 740' ' ' ASP . . . -58.43 -20.4 44.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.608 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -96.0 1.17 52.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.507 ' OD1' ' O ' ' B' ' 741' ' ' THR . 25.7 p-10 -63.0 145.36 96.7 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.275 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.88 -29.01 50.32 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.657 2.238 . . . . 0.0 113.071 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -37.55 84.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.273 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -67.67 -44.29 78.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.27 -40.73 97.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.269 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.3 -43.17 92.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.76 98.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 83.7 m -63.73 -44.58 93.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -60.84 -34.1 74.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.1 m -63.53 -45.17 91.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -59.38 -43.13 92.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.4 m -61.35 -36.34 79.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.61 -47.64 74.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 758' ' ' THR . 18.3 pt -70.18 -42.32 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 757' ' ' ILE . 0.6 OUTLIER -69.53 -25.85 64.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 -179.506 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.496 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 90.1 t80 -89.85 3.56 52.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.6 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 60.88 120.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.462 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.38 99.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.535 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.05 93.22 0.72 Allowed 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.661 2.24 . . . . 0.0 111.914 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.81 -33.68 76.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.8 -41.66 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.48 -43.85 96.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.381 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -63.47 -47.85 80.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.13 -36.01 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.15 -40.22 95.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.43 -41.54 97.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.724 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.271 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.89 -43.5 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.41 -37.0 81.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -69.59 -34.17 73.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 724' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' B' ' 726' ' ' GLU . 80.1 mtp85 -74.54 123.7 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.486 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.32 -19.33 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.712 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' B' ' 724' ' ' ARG . 96.1 mt-10 -57.6 -43.28 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -66.4 -39.1 88.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.48 82.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.468 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.36 -43.18 98.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.93 -43.21 98.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.16 -43.85 82.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.768 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 732' ' ' GLU . . . . . 0.419 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -63.3 -39.45 94.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -35.8 82.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.31 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.07 81.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.591 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.419 HH12 ' HB3' ' B' ' 732' ' ' GLU . 83.7 mtt85 -64.36 -38.54 91.39 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -101.54 40.67 1.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -84.94 27.34 0.77 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.343 0.592 . . . . 0.0 110.224 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 32.8 t90 59.64 100.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.16 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -128.36 -178.26 4.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.238 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 73.9 m -61.64 -43.06 99.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.649 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.19 77.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -89.14 7.84 33.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 744' ' ' ASN . 48.9 p-10 -60.01 148.09 78.34 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.31 -34.12 17.91 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.566 2.177 . . . . 0.0 112.4 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.493 ' N ' HD12 ' B' ' 746' ' ' LEU . 11.1 mp -61.12 -34.4 74.92 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.073 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.19 -45.99 90.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.123 0.487 . . . . 0.0 110.702 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.49 -41.56 98.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.525 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.38 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.16 77.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 30.4 p -67.09 -36.06 81.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 15.7 m -59.66 -35.25 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.7 m -63.11 -45.63 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.836 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.522 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 63.1 t80 -57.56 -39.3 76.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.9 m -58.18 -43.17 87.39 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -67.85 -51.99 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.64 -45.46 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.38 0.61 . . . . 0.0 110.386 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.564 ' O ' ' N ' ' B' ' 760' ' ' ARG . 19.2 m -78.16 -0.9 30.15 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.072 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -49.9 85.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 758' ' ' THR . 21.5 tpt85 -157.99 107.61 2.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -66.09 -42.32 94.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.519 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 709' ' ' SER . . . . . 0.444 ' CB ' ' CD ' ' B' ' 710' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 710' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' B' ' 709' ' ' SER . 30.9 Cg_exo -61.28 144.98 98.92 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.714 2.276 . . . . 0.0 112.01 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.69 -39.34 88.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.65 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.06 -44.0 97.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.69 -43.72 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -60.62 -41.93 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -64.34 -36.76 85.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.314 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.18 -41.92 97.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.155 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.97 -41.14 97.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.434 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.5 -43.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.138 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.3 m -61.71 -45.13 95.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.22 -43.46 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -63.06 -34.5 77.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.509 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.4 -19.32 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -84.68 138.7 32.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.96 0.409 . . . . 0.0 110.554 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -76.63 -21.09 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.31 -40.47 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.342 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.77 -46.77 89.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.603 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.04 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -63.17 -44.09 96.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.703 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.2 -45.41 94.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.37 -48.53 81.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.517 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -65.35 -35.84 82.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -47.81 84.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.132 0.492 . . . . 0.0 110.353 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.96 96.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.519 ' C ' ' H ' ' B' ' 738' ' ' LYS . 79.3 mmt-85 -70.11 -36.09 74.6 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -69.82 14.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.807 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' B' ' 736' ' ' ARG . 45.2 tttp -88.99 13.4 12.96 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -156.56 14.91 0.3 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' B' ' 742' ' ' ALA . 99.6 m-20 -100.36 -176.57 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.121 0.486 . . . . 0.0 110.225 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 6.0 p -45.42 -14.82 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.656 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -59.17 -27.61 65.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.79 3.22 55.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.027 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.88 135.1 63.71 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -45.64 -35.43 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.599 2.199 . . . . 0.0 112.558 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.526 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.1 mm? -63.04 -35.76 81.3 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.252 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.72 -43.4 96.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.715 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.7 mttm -60.84 -38.84 86.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.227 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -57.65 -32.47 67.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.31 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 72.0 p -62.7 -34.23 76.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 42.4 t -56.78 -43.1 80.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.225 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 98.6 m -64.15 -45.78 86.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 758' ' ' THR . 51.9 m-85 -64.81 -36.1 83.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.384 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.3 m -57.26 -40.23 77.25 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.564 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -63.08 -43.83 97.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.523 ' C ' ' H ' ' B' ' 759' ' ' TYR . 1.8 mt -87.19 -51.1 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.327 0.584 . . . . 0.0 110.798 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 754' ' ' PHE . 32.7 m -62.51 4.25 0.16 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.33 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' B' ' 757' ' ' ILE . 91.2 t80 -58.08 -45.0 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -163.53 124.7 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.932 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.69 -40.17 98.28 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.474 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.13 151.58 77.67 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.965 2.443 . . . . 0.0 111.998 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.71 -29.8 54.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.509 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 71.3 m -61.59 -46.5 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.513 HD22 ' N ' ' B' ' 713' ' ' LEU . 4.0 mm? -64.02 -42.69 97.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.71 -44.52 98.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.178 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -57.74 -38.88 76.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.97 -42.62 94.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.275 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 718' ' ' LEU . 4.1 mm? -62.3 -41.7 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.74 -43.45 97.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.329 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.2 m -60.9 -45.07 96.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.424 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.12 -35.97 76.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.28 -18.84 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.623 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -85.79 145.99 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -64.87 -22.53 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.25 -34.65 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.409 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 78.5 t80 -60.38 -46.09 91.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.27 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.071 0.462 . . . . 0.0 110.505 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.16 -43.01 99.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.171 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 731' ' ' GLU . . . . . 0.409 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 70.3 mt-10 -56.84 -37.37 71.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.325 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 732' ' ' GLU . . . . . 0.469 ' C ' ' HE ' ' B' ' 736' ' ' ARG . 94.2 mt-10 -63.08 -36.31 83.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 733' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' B' ' 736' ' ' ARG . 80.6 mm-40 -67.87 -34.73 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 734' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' B' ' 738' ' ' LYS . 93.8 mtt-85 -60.28 -47.22 86.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.23 -43.7 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.924 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' B' ' 733' ' ' GLU . 86.9 mtm180 -61.23 -43.0 99.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 737' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' B' ' 739' ' ' TRP . . . -85.18 -36.67 20.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.178 0.513 . . . . 0.0 111.42 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' B' ' 734' ' ' ARG . 75.7 tttt 36.35 29.17 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.49 ' N ' ' O ' ' B' ' 737' ' ' ALA . 28.3 m95 -133.63 9.7 3.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.235 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' B' ' 742' ' ' ALA . 21.6 t70 -93.84 -177.19 4.27 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.005 0.431 . . . . 0.0 109.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 4.8 m -42.27 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.4 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -59.3 -10.68 3.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.658 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -94.16 8.77 40.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 747' ' ' TYR . 0.1 OUTLIER -58.36 147.35 68.31 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.306 -179.136 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.28 -44.37 29.32 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.265 1.977 . . . . 0.0 113.085 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 746' ' ' LEU . 10.2 mp -62.62 -27.39 69.18 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.343 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 50.7 t80 -65.77 -45.45 82.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.095 0.474 . . . . 0.0 110.686 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.33 -39.81 94.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.86 -32.63 74.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.782 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.17 -51.87 67.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 2.0 t -68.86 -37.18 78.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.686 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 16.1 m -57.28 -34.99 69.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.55 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.4 m -63.65 -44.75 92.9 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.93 -42.74 85.48 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.158 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.1 m -62.08 -36.16 80.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -65.32 -46.73 79.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.564 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.87 -48.66 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 111.084 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.74 -12.17 9.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.41 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' B' ' 759' ' ' TYR . 92.3 t80 -92.46 -2.16 56.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.827 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 760' ' ' ARG . 7.7 mmm180 -64.31 -40.3 95.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.1 98.77 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.555 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.17 149.6 84.17 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.884 2.39 . . . . 0.0 112.047 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -50.89 -24.2 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.97 -46.0 75.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.045 0.45 . . . . 0.0 110.718 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.525 ' N ' HD22 ' B' ' 713' ' ' LEU . 4.0 mm? -63.62 -42.84 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.23 -43.06 95.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.029 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -55.48 -39.29 70.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -58.86 -42.58 89.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.32 -39.35 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.3 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.02 -40.12 92.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.125 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.5 -44.01 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.3 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.0 m -62.83 -45.95 90.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.651 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.43 -43.61 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.375 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.85 -34.17 75.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.68 -34.74 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.16 118.22 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.15 -33.12 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.53 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 80.2 t80 -60.86 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.72 94.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.55 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.1 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -59.8 -45.82 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.29 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 731' ' ' GLU . . . . . 0.53 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 97.0 mt-10 -63.5 -47.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.87 -35.38 80.93 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.79 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.477 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.35 95.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.82 -40.29 94.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -83.24 16.06 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.651 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.99 18.24 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.212 0.529 . . . . 0.0 110.986 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -89.41 8.01 33.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' B' ' 741' ' ' THR . 49.9 t0 -81.81 158.2 24.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.21 0.528 . . . . 0.0 110.486 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' B' ' 740' ' ' ASP . 42.6 p -71.7 -31.63 66.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.663 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.009 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -86.73 -9.48 55.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.86 145.98 51.32 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.88 -22.7 55.8 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.533 2.155 . . . . 0.0 112.627 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.536 ' N ' HD22 ' B' ' 746' ' ' LEU . 4.2 mm? -63.11 -37.83 88.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.16 -45.47 91.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.69 -40.64 95.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.99 -36.72 84.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.56 94.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.494 ' O ' HG23 ' B' ' 755' ' ' THR . 25.0 p -66.53 -34.93 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' B' ' 755' ' ' THR . 6.4 t -57.71 -43.02 84.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.319 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.0 m -65.31 -49.19 70.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -61.56 -38.83 88.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 751' ' ' THR . 17.6 p -61.79 -34.67 76.32 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.004 0.431 . . . . 0.0 110.361 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.39 -45.91 78.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.01 -47.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-O 121.326 0.584 . . . . 0.0 111.356 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -11.37 10.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.163 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -58.13 -47.88 81.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.633 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 20.3 tpt85 -163.94 118.41 1.52 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -77.43 61.95 3.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.526 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.494 1.554 0 CA-C-O 120.794 0.247 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -62.11 -36.76 82.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.9 m -64.67 -42.0 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.06 -44.4 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.055 0.455 . . . . 0.0 110.522 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.68 -42.94 96.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.306 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.42 ' CH2' HD11 ' B' ' 719' ' ' ILE . 37.0 t90 -54.88 -38.93 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.92 -40.82 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.68 -38.04 86.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.47 -40.54 94.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.348 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.42 HD11 ' CH2' ' B' ' 715' ' ' TRP . 68.4 mt -61.84 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 98.1 m -63.02 -45.83 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.735 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.85 -43.52 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.66 -34.32 75.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -68.7 -36.04 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.451 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -69.23 117.15 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.37 -29.4 69.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.59 -33.94 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.426 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . 0.498 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 64.8 t80 -60.71 -46.06 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.28 -37.94 87.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.88 -37.22 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . 0.498 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.3 mt-10 -58.42 -49.33 77.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.81 -35.21 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.82 -40.13 96.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.7 -43.7 97.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.07 93.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.645 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.539 0.209 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -46.65 -34.02 14.54 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.552 2.168 . . . . 0.0 112.413 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -56.69 -36.79 70.04 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.821 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -62.24 -46.05 90.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.598 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.68 -41.55 95.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.412 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.31 -40.65 82.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.11 90.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.7 m -63.07 -44.72 94.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -60.51 -35.25 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 82.4 m -63.43 -46.94 84.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.98 -41.36 91.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.7 m -55.19 -39.28 69.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.287 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.67 -49.66 67.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.95 -49.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.091 0.472 . . . . 0.0 110.932 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.861 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 N--CA 1.493 1.494 0 CA-C-O 120.81 0.254 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.589 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.57 -38.95 92.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.8 mp -62.77 -41.91 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -43.86 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.441 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -60.16 -42.75 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.98 -36.23 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.88 -40.8 96.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.266 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -41.24 95.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.361 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.68 -43.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.452 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.3 m -60.36 -48.16 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.614 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.37 -43.59 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.716 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.04 -34.7 76.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -69.11 -36.17 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.63 104.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.695 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.49 -35.0 79.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -58.22 -36.85 73.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . 0.523 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 85.4 t80 -60.83 -47.72 85.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.562 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.92 87.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.447 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.84 -42.51 99.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -59.76 -44.26 93.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.266 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . 0.523 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.2 mt-10 -61.09 -45.66 93.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.778 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.47 -41.94 92.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.56 -38.62 87.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.76 -42.61 99.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 110.412 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.17 94.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.95 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 120.996 0.427 . . . . 0.0 110.256 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 120.6 0.238 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -46.09 -35.46 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.694 2.263 . . . . 0.0 112.527 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.81 -31.86 72.12 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.441 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.87 -46.26 90.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.678 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -42.27 97.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.383 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.98 -39.43 89.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.0 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.534 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 80.8 m -62.42 -44.99 95.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.693 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 38.7 t -61.55 -36.44 80.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.5 m -63.26 -44.37 95.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.658 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.95 -37.1 75.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.434 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -57.59 -42.12 82.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -64.72 -47.28 78.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.7 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.93 -48.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.495 1.606 0 CA-C-O 120.739 0.224 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.57 -41.88 96.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.7 -38.49 91.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.0 tt -62.53 -44.06 97.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.961 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.09 -44.34 99.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.447 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.4 -45.16 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.39 -35.86 81.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.412 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.165 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.39 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.669 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.44 -43.88 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.139 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -62.58 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.65 -43.14 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -59.26 -29.71 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.14 -9.1 57.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -76.67 138.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -71.69 -35.67 70.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.641 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.85 -39.21 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.01 -44.41 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.04 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.57 -43.27 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.685 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.75 -43.48 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -57.52 -43.21 84.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.23 -41.38 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.35 -34.55 78.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.59 -44.18 96.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.75 92.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.737 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 -19.67 54.41 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.378 2.052 . . . . 0.0 112.215 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.544 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -67.97 -33.92 75.57 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.82 -46.8 87.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 111.438 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' B' ' 751' ' ' THR . 12.6 pttm -65.35 -35.08 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.208 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.711 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.06 90.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.759 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 31.9 p -66.06 -35.43 80.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.723 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 755' ' ' THR . 11.6 t -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.1 m -64.11 -46.3 84.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.749 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.37 -43.72 96.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 752' ' ' SER . 23.5 p -57.06 -34.47 68.28 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -67.43 -48.69 66.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.707 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.16 -48.49 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 111.152 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.155 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' B' ' 713' ' ' LEU . 41.6 Cg_endo . . . . . 0 N--CA 1.491 1.378 0 CA-C-O 120.811 0.255 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -43.73 -29.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 89.2 m -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 710' ' ' PRO . 48.3 tp -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . 0.681 HD12 ' N ' ' B' ' 714' ' ' ILE . 2.2 mp -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -57.08 -43.71 82.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.412 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -61.79 -38.1 86.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.35 -40.19 89.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.395 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.603 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.63 -42.35 98.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 0.0 110.465 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.25 -44.28 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.322 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.8 m -61.64 -44.92 96.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -43.4 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.454 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -65.89 -28.24 68.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.19 -16.68 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -81.08 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -65.47 -36.96 85.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.0 -35.47 71.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.477 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -61.23 -45.16 95.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.332 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.19 83.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.85 -43.39 98.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.763 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -61.35 -41.66 97.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.44 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.29 -40.96 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.1 -42.59 99.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.99 -34.34 77.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.095 0.474 . . . . 0.0 110.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -67.1 -43.1 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.446 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -68.13 -49.13 63.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.398 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 120.598 0.237 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.38 -27.35 40.28 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.593 2.195 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.15 -33.74 75.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.396 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.69 -46.02 91.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.721 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -62.91 -41.69 99.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -58.6 -40.52 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.489 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.41 89.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.519 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 18.9 m -61.59 -44.2 97.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.5 t -59.14 -40.27 84.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -63.3 -45.0 93.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.18 -40.71 86.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.2 m -55.77 -38.92 70.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -66.2 -48.98 68.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.2 mt -66.53 -50.14 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.019 0.437 . . . . 0.0 110.874 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 121.05 0.354 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.74 -35.23 72.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.391 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.7 m -60.08 -41.36 92.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.17 -42.73 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.01 -44.35 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -64.7 -45.64 85.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -62.98 -38.15 90.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.32 -42.64 91.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.064 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.87 -42.07 97.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.82 -43.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.331 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.1 m -60.71 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.43 -44.0 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.22 -33.22 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -19.0 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.692 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.26 126.77 35.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.493 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.14 -20.94 54.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -62.96 -35.49 80.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.327 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . 0.487 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 63.1 t80 -60.63 -46.97 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.77 83.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -43.67 94.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.669 0.271 . . . . 0.0 110.396 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.05 -43.77 98.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.261 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . 0.487 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 96.4 mt-10 -59.05 -46.81 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.754 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.73 -42.16 98.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.46 -36.58 81.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -60.7 -44.0 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.31 98.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.729 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.649 0.261 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.05 -18.83 46.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.608 2.205 . . . . 0.0 112.412 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.62 -25.63 38.27 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.62 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -64.99 -47.95 75.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.61 -36.16 81.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.24 -37.57 87.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.84 99.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 32.9 p -67.5 -35.94 80.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.1 t -60.82 -41.23 95.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.7 m -63.1 -45.31 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.624 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.37 -40.63 87.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.3 m -55.67 -39.94 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.388 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.75 -46.14 83.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.779 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.04 -49.45 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.11 0.481 . . . . 0.0 111.262 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 N--CA 1.496 1.661 0 CA-C-O 120.783 0.243 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.07 -33.9 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.2 m -64.15 -38.87 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -44.63 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -61.52 -48.95 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.92 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.85 -40.04 91.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -37.69 86.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.426 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.15 -43.88 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.247 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.7 m -63.27 -45.07 93.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.794 0.33 . . . . 0.0 110.656 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.58 -41.95 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.309 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -57.22 -28.64 63.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 55.1 t0 -71.48 -9.06 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -81.64 146.56 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -75.02 -24.75 58.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.492 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.87 -40.8 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.41 -44.66 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.497 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.14 -42.55 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.66 -43.76 97.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.274 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -57.89 -43.45 86.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.75 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -37.49 86.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.506 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -61.33 -44.3 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.92 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.665 179.653 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.443 0.163 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -45.83 -34.09 11.62 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.655 2.237 . . . . 0.0 112.159 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 62.5 mt -56.42 -34.09 66.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.118 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.75 -46.08 91.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -65.53 -40.79 93.32 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.1 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -57.44 -32.52 66.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.45 81.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.604 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 21.9 p -67.09 -36.01 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.712 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 36.7 t -59.28 -31.25 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.2 m -62.65 -45.11 94.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.23 -40.01 84.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.6 m -55.72 -42.77 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.271 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.57 -47.88 79.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.64 -46.74 88.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.179 0.514 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.011 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo . . . . . 0 N--CA 1.492 1.415 0 CA-C-O 121.078 0.366 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 711' ' ' GLU . 58.5 mp0 -69.24 -32.76 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.524 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 75.1 m -60.43 -44.7 95.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.16 -42.51 96.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.821 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.67 -43.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -63.55 -48.83 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.12 -36.23 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.86 -41.01 95.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.377 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.33 -41.46 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.26 -43.97 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.1 m -61.49 -45.4 94.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.37 -43.75 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.33 -33.34 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.7 t0 -68.8 -35.9 77.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -67.32 131.27 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -77.14 -19.27 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.677 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -57.84 -45.4 86.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.36 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -63.98 -44.47 92.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.646 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.42 -43.9 96.29 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.9 -45.31 95.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.5 -46.41 90.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . 0.448 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -64.96 -39.04 92.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.03 -35.17 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -62.25 -41.63 98.6 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.39 88.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . 0.448 HH12 ' HB3' ' B' ' 732' ' ' GLU . 84.5 mtt85 . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 120.713 0.292 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.56 -23.55 49.76 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.506 2.137 . . . . 0.0 112.501 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.13 -26.39 56.3 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -62.82 -49.02 76.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.962 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.51 -34.35 75.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.66 -32.91 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.557 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.54 82.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 40.8 p -67.13 -38.47 85.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 95.8 p -62.38 -31.01 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.1 m -63.26 -45.59 90.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.723 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.32 -40.56 86.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.6 m -56.5 -39.96 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.32 -46.41 83.66 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.752 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -69.97 -48.13 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 111.123 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.369 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.495 1.561 0 CA-C-O 120.849 0.27 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.37 -38.94 88.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.615 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.53 -39.26 93.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.473 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.54 -42.3 99.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.219 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -56.17 -40.8 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.03 -35.06 78.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.379 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.577 HD13 ' O ' ' B' ' 717' ' ' LEU . 0.2 OUTLIER -60.23 -43.35 96.11 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.415 -179.045 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.438 ' N ' HD12 ' B' ' 718' ' ' LEU . 11.1 mp -63.04 -40.11 96.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.14 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.54 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.014 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.0 m -61.14 -43.57 98.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.41 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.283 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.79 -26.77 67.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.854 0.359 . . . . 0.0 110.63 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -72.65 -7.57 51.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -84.29 134.34 34.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -64.97 -39.52 93.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.36 -45.52 88.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.612 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -68.28 -38.18 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.646 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.67 89.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -39.91 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -66.75 -38.73 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.685 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -59.02 -49.12 79.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.87 -38.32 86.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.962 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.74 -35.65 80.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.56 -44.97 95.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.46 87.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.486 0.184 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.13 -31.21 45.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.649 2.233 . . . . 0.0 112.565 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -32.04 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -62.9 -45.84 90.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.685 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -63.72 -43.33 96.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.26 -39.35 86.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.97 82.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.485 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.5 m -61.02 -45.41 94.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.424 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 74.8 m -60.12 -37.96 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 96.6 m -63.54 -44.48 94.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 36.5 t80 -58.98 -43.28 91.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.44 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.8 m -61.32 -36.16 79.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.89 0.376 . . . . 0.0 110.741 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -60.92 -43.05 99.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.99 -46.72 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.663 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 99.8 m . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo . . . . . 0 N--CA 1.494 1.549 0 CA-C-O 120.958 0.316 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.92 -33.18 75.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.02 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.622 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.0 mp -64.12 -41.66 97.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.671 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.57 -43.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.416 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.03 -43.86 91.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -61.29 -40.74 95.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.25 -37.54 85.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.276 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.91 -46.63 96.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.6 m -62.27 -45.01 95.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . 0.412 HG23 ' CG ' ' B' ' 727' ' ' PHE . 97.9 mt -62.85 -43.53 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -60.55 -36.78 79.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.476 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -70.52 -18.6 62.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -91.69 105.04 17.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.55 -36.66 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.6 -40.71 83.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . 0.412 ' CG ' HG23 ' B' ' 721' ' ' ILE . 16.2 t80 -62.61 -43.56 98.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.33 72.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.449 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.42 -43.02 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -62.11 -42.16 98.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.346 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.19 -43.01 82.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.25 -42.37 98.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.15 -39.35 89.74 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.35 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -70.14 -41.64 73.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.54 -26.02 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.248 -179.423 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.484 0.183 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.47 -35.07 11.65 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.692 2.261 . . . . 0.0 112.414 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 746' ' ' LEU . 10.8 mp -61.2 -32.46 72.21 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -60.89 -46.04 92.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.93 -41.58 95.42 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.048 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.31 -39.42 82.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.03 87.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 89.4 m -60.56 -42.94 97.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -55.53 -41.0 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.381 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.8 m -64.74 -45.18 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.539 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' B' ' 758' ' ' THR . 41.9 m-85 -63.44 -35.21 79.69 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.356 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.4 m -58.74 -40.8 84.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.978 0.418 . . . . 0.0 110.715 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.36 -42.63 99.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 1.3 mt -89.32 -50.5 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.512 ' N ' ' O ' ' B' ' 754' ' ' PHE . 29.6 m . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.525 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 N--CA 1.493 1.481 0 CA-C-O 120.971 0.321 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . 0.658 ' H ' ' CD ' ' B' ' 711' ' ' GLU . 1.6 pm0 -54.78 -26.03 31.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.1 m -65.64 -43.63 88.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.498 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.5 tt -62.78 -45.66 91.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.206 0.527 . . . . 0.0 110.356 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.22 -43.58 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -57.42 -41.14 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.34 -38.82 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -38.38 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.98 -41.36 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.52 -46.83 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.9 m -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.23 -43.95 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.33 -27.67 69.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.4 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.95 -9.03 57.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.84 127.84 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -66.26 -36.03 81.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.51 -46.06 87.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.568 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -68.6 -38.67 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.706 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.83 86.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.463 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.32 -45.08 94.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.542 0.21 . . . . 0.0 110.659 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.52 -44.51 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.442 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.11 -46.41 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -64.32 -36.17 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -65.56 -37.79 87.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -61.84 -44.01 97.69 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.19 86.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 120.547 0.213 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.74 -23.21 56.18 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.638 2.225 . . . . 0.0 112.304 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.544 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -64.25 -33.76 76.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.404 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -76.95 -42.63 38.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.631 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -64.38 -49.8 70.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 750' ' ' ALA . 2.0 pp20? -63.18 -36.81 84.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.127 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' B' ' 749' ' ' GLU . . . -68.01 -38.06 82.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.508 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.6 m -62.36 -44.25 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.529 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 89.6 p -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 16.2 m -63.29 -44.83 93.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.81 -40.91 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.9 m -55.78 -40.26 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.182 0.515 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.89 -47.29 78.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.4 -49.6 64.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.025 0.441 . . . . 0.0 110.914 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.495 1.602 0 CA-C-O 120.98 0.325 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.14 -34.77 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.418 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 97.4 m -62.84 -42.94 99.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.581 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.34 -43.76 96.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.63 -43.52 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -61.67 -42.6 99.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.76 -37.38 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -41.29 97.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.82 -39.18 93.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.619 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.5 -44.48 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.249 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 22.6 m -62.68 -48.82 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.19 -43.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.68 -35.95 79.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.23 -35.23 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.29 98.17 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.59 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.97 -31.69 72.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.92 -32.54 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -59.12 -46.29 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.65 99.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.33 -40.44 96.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.35 -41.34 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.4 -50.07 74.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.69 -38.55 83.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . 0.509 ' CG ' HH21 ' B' ' 736' ' ' ARG . 92.7 mt-10 -66.93 -38.43 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -60.85 -44.42 97.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.525 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.73 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . 0.509 HH21 ' CG ' ' B' ' 733' ' ' GLU . 84.7 mtm180 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.735 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.468 0.175 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -47.37 -34.79 19.73 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.36 -34.01 60.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.309 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.3 -46.43 88.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.35 92.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.55 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.62 -39.0 79.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.523 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.7 88.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.44 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.6 m -63.58 -45.7 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' B' ' 755' ' ' THR . 38.4 m -63.91 -31.52 72.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.0 m -62.73 -43.77 97.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' B' ' 758' ' ' THR . 46.3 t80 -58.84 -43.37 90.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 752' ' ' SER . 22.2 p -65.02 -34.18 77.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -62.14 -42.43 99.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -50.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.071 0.462 . . . . 0.0 110.294 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.588 HG21 ' CE2' ' B' ' 754' ' ' PHE . 11.7 m . . . . . 0 C--N 1.316 -0.874 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.57 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.495 1.583 0 CA-C-O 120.756 0.232 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.71 -35.76 78.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.466 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 16.8 m -63.35 -46.09 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.73 -43.83 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -59.65 -41.28 90.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.451 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -59.58 -41.67 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.644 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -37.9 86.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.54 -41.36 94.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.16 -46.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.5 m -59.89 -47.53 85.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.79 -43.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.44 -31.95 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -70.63 -17.69 62.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -87.02 141.25 28.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.479 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.05 -23.75 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.86 -35.78 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.6 -43.47 97.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.71 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.92 -42.91 99.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.325 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.98 -42.15 79.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.1 -37.17 85.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -61.88 -37.13 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -69.27 -41.69 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.555 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.08 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.708 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 110.578 -179.215 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.2 m120 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.545 0.212 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.77 -20.43 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.767 2.312 . . . . 0.0 112.411 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 746' ' ' LEU . 11.0 mp -68.72 -31.41 70.46 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.357 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.63 -48.33 81.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.49 -33.71 75.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.871 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.2 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.563 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.6 87.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 63.1 p -65.09 -36.19 83.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.577 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 39.5 t -61.3 -39.36 90.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -62.98 -43.56 98.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' B' ' 758' ' ' THR . 56.5 t80 -58.29 -43.38 88.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -60.34 -40.3 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.1 -53.58 56.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -43.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.563 ' O ' HG22 ' B' ' 758' ' ' THR . 69.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.498 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.95 0.312 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' B' ' 713' ' ' LEU . 23.8 p -59.49 -48.81 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.469 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.591 ' N ' ' SG ' ' B' ' 712' ' ' CYS . 12.0 mt -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.823 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -43.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.358 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -60.32 -43.58 96.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.51 -35.91 77.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.518 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 717' ' ' LEU . 0.2 OUTLIER -62.81 -40.96 98.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 -179.202 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.47 -40.46 91.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.208 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 -43.51 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.7 m -60.64 -43.0 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.478 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -43.32 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.56 -35.06 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -69.44 -35.08 75.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -76.51 100.92 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -63.64 -32.7 74.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' B' ' 726' ' ' GLU . 56.1 mp0 -58.2 -37.26 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.462 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.02 -41.15 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.449 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.53 84.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.504 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.23 -40.58 94.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.08 -41.32 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.712 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.72 -49.38 76.73 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.28 -37.32 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -66.7 -37.23 84.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.55 84.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.79 179.751 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.642 0.258 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.88 -23.83 47.06 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.653 2.235 . . . . 0.0 112.763 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.1 -35.13 77.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -61.12 -46.54 90.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.631 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.69 -42.32 95.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.09 -37.47 87.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.24 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.7 m -60.89 -44.74 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -33.44 70.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 10.5 m -62.83 -37.99 88.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -39.34 75.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.7 m -57.07 -38.94 74.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.318 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -67.62 -49.54 62.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.78 -49.45 80.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.288 0.566 . . . . 0.0 110.944 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.367 -179.698 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 N--CA 1.497 1.679 0 CA-C-O 120.915 0.298 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.43 -38.65 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.31 -40.59 97.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.531 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.63 -43.16 99.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.8 -43.54 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -58.64 -46.27 87.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.447 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.59 -35.99 79.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.87 -40.59 95.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.044 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.16 -42.39 98.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.6 mt -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.9 m -62.13 -46.04 90.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -44.07 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -61.33 -30.59 70.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.37 -33.85 73.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.622 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -68.34 131.53 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -77.38 -22.61 51.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.15 -44.54 94.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -66.05 -39.54 90.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.591 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.59 88.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -61.2 -45.44 94.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.451 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.19 -47.99 83.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.11 -40.34 95.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.657 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.25 -35.89 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -62.63 -41.05 98.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.418 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.85 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.294 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.03 0.443 . . . . 0.0 110.048 -179.626 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 CA--C 1.533 0.315 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -44.24 -32.93 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.916 2.411 . . . . 0.0 112.194 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.01 -34.39 74.73 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.992 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -63.47 -45.8 89.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -65.04 -39.47 93.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.072 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.71 -38.68 82.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.66 96.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.62 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 35.2 p -66.94 -36.39 82.11 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.555 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.3 t -61.6 -41.13 97.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.2 m -63.03 -45.78 90.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.789 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 54.3 t80 -57.7 -39.92 78.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.9 m -57.04 -42.49 80.58 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.298 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -68.45 -52.28 34.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.3 -45.62 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 110.577 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 44.6 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.234 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo . . . . . 0 N--CA 1.495 1.576 0 CA-C-O 120.781 0.242 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.36 -39.33 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.669 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.3 -38.74 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.22 -40.99 99.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.34 -43.77 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -59.87 -45.57 92.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.98 -38.87 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.98 -41.15 97.7 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.23 -42.74 81.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.373 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.47 -41.44 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -56.33 -35.72 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.47 -44.15 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.59 -39.55 84.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 67.1 t0 -68.89 -35.84 77.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -83.04 103.4 12.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.007 0.432 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.15 -33.43 75.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.671 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.14 -44.29 87.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.47 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -63.16 -43.6 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.67 91.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.56 -43.94 97.94 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.71 -44.47 96.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -45.15 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.95 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.94 -37.3 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.706 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.54 -43.52 98.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.91 81.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 179.782 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -45.21 -33.51 8.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -59.15 -35.37 73.39 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.68 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.43 -46.18 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.97 -40.72 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.396 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.46 -39.99 89.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.599 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.44 86.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.1 m -61.38 -41.81 97.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.607 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.6 t -57.98 -42.49 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.5 m -64.14 -46.35 84.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.798 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -62.06 -34.7 76.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.149 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 13.8 m -58.41 -42.19 86.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.459 . . . . 0.0 110.045 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.8 -44.97 91.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.242 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.51 -46.1 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.506 0.67 . . . . 0.0 111.287 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.249 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.785 0.244 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.68 -33.68 71.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -41.75 95.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.531 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.59 -41.78 99.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.17 -43.57 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -57.93 -45.16 87.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.65 -38.41 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.22 -39.07 81.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.94 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.48 -38.65 88.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.263 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.55 -43.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -62.58 -45.23 93.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.548 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.98 -43.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.448 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.96 -19.92 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -85.85 151.03 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -68.53 -20.29 64.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.41 -34.37 70.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.73 -45.39 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.15 -44.64 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -61.6 -42.64 99.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -57.13 -44.68 83.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.26 -39.77 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.443 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.63 -36.71 78.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.07 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.98 89.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.496 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.674 179.633 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.88 -29.01 50.32 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.657 2.238 . . . . 0.0 113.071 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -37.55 84.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.273 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -67.67 -44.29 78.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.27 -40.73 97.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.269 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.3 -43.17 92.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.76 98.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 83.7 m -63.73 -44.58 93.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -60.84 -34.1 74.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.1 m -63.53 -45.17 91.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -59.38 -43.13 92.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.4 m -61.35 -36.34 79.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.61 -47.64 74.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 758' ' ' THR . 18.3 pt -70.18 -42.32 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 757' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 N--CA 1.494 1.54 0 CA-C-O 120.936 0.307 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.81 -33.68 76.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.8 -41.66 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.48 -43.85 96.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.381 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -63.47 -47.85 80.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.13 -36.01 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.15 -40.22 95.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.43 -41.54 97.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.724 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.271 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.89 -43.5 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.41 -37.0 81.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -69.59 -34.17 73.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' B' ' 726' ' ' GLU . 80.1 mtp85 -74.54 123.7 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.486 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.32 -19.33 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.712 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' B' ' 724' ' ' ARG . 96.1 mt-10 -57.6 -43.28 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -66.4 -39.1 88.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.48 82.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.468 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.36 -43.18 98.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.93 -43.21 98.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.16 -43.85 82.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.768 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . 0.419 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -63.3 -39.45 94.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -35.8 82.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.31 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.07 81.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.591 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . 0.419 HH12 ' HB3' ' B' ' 732' ' ' GLU . 83.7 mtt85 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 744' ' ' ASN . 48.9 p-10 . . . . . 0 CA--C 1.538 0.483 0 CA-C-O 120.458 0.17 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.31 -34.12 17.91 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.566 2.177 . . . . 0.0 112.4 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.493 HD12 ' N ' ' B' ' 746' ' ' LEU . 11.1 mp -61.12 -34.4 74.92 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.073 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.19 -45.99 90.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.123 0.487 . . . . 0.0 110.702 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.49 -41.56 98.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.525 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.38 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.16 77.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 30.4 p -67.09 -36.06 81.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 15.7 m -59.66 -35.25 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.7 m -63.11 -45.63 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.836 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . 0.522 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 63.1 t80 -57.56 -39.3 76.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.9 m -58.18 -43.17 87.39 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -67.85 -51.99 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.64 -45.46 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.38 0.61 . . . . 0.0 110.386 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.522 ' OG1' ' CE1' ' B' ' 754' ' ' PHE . 19.2 m . . . . . 0 C--N 1.316 -0.871 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.072 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.858 0.274 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.69 -39.34 88.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.65 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.06 -44.0 97.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.69 -43.72 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -60.62 -41.93 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -64.34 -36.76 85.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.314 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.18 -41.92 97.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.155 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.97 -41.14 97.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.434 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.5 -43.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.138 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.3 m -61.71 -45.13 95.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.22 -43.46 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -63.06 -34.5 77.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.509 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.4 -19.32 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -84.68 138.7 32.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.96 0.409 . . . . 0.0 110.554 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -76.63 -21.09 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.31 -40.47 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.342 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.77 -46.77 89.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.603 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.04 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -63.17 -44.09 96.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.703 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.2 -45.41 94.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.37 -48.53 81.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.517 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -65.35 -35.84 82.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -47.81 84.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.132 0.492 . . . . 0.0 110.353 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.96 96.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 . . . . . 0 N--CA 1.45 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.672 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -45.64 -35.43 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.599 2.199 . . . . 0.0 112.558 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.526 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -63.04 -35.76 81.3 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.252 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.72 -43.4 96.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.715 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.7 mttm -60.84 -38.84 86.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.227 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -57.65 -32.47 67.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.31 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 72.0 p -62.7 -34.23 76.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 42.4 t -56.78 -43.1 80.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.225 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 98.6 m -64.15 -45.78 86.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 758' ' ' THR . 51.9 m-85 -64.81 -36.1 83.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.384 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.3 m -57.26 -40.23 77.25 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.564 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -63.08 -43.83 97.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 1.8 mt -87.19 -51.1 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.327 0.584 . . . . 0.0 110.798 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 754' ' ' PHE . 32.7 m . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.33 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo . . . . . 0 N--CA 1.494 1.504 0 CA-C-O 120.891 0.288 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.71 -29.8 54.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.509 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 71.3 m -61.59 -46.5 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.513 HD22 ' N ' ' B' ' 713' ' ' LEU . 4.0 mm? -64.02 -42.69 97.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.71 -44.52 98.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.178 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -57.74 -38.88 76.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.97 -42.62 94.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.275 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 718' ' ' LEU . 4.1 mm? -62.3 -41.7 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.74 -43.45 97.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.329 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.2 m -60.9 -45.07 96.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.424 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.12 -35.97 76.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.28 -18.84 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.623 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -85.79 145.99 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -64.87 -22.53 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.25 -34.65 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . 0.409 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 78.5 t80 -60.38 -46.09 91.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.27 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.071 0.462 . . . . 0.0 110.505 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.16 -43.01 99.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.171 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . 0.409 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 70.3 mt-10 -56.84 -37.37 71.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.325 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . 0.469 ' C ' ' HE ' ' B' ' 736' ' ' ARG . 94.2 mt-10 -63.08 -36.31 83.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' B' ' 736' ' ' ARG . 80.6 mm-40 -67.87 -34.73 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.28 -47.22 86.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.753 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.23 -43.7 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.924 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' B' ' 733' ' ' GLU . 86.9 mtm180 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.256 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 747' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.873 0.368 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.28 -44.37 29.32 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.265 1.977 . . . . 0.0 113.085 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 746' ' ' LEU . 10.2 mp -62.62 -27.39 69.18 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.343 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 50.7 t80 -65.77 -45.45 82.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.095 0.474 . . . . 0.0 110.686 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.33 -39.81 94.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.86 -32.63 74.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.782 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.17 -51.87 67.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 2.0 t -68.86 -37.18 78.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.686 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 16.1 m -57.28 -34.99 69.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.55 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.4 m -63.65 -44.75 92.9 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.93 -42.74 85.48 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.158 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.1 m -62.08 -36.16 80.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -65.32 -46.73 79.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.564 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.87 -48.66 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 111.084 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.41 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 N--CA 1.494 1.531 0 CA-C-O 120.963 0.318 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -50.89 -24.2 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.97 -46.0 75.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.045 0.45 . . . . 0.0 110.718 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 713' ' ' LEU . 4.0 mm? -63.62 -42.84 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.23 -43.06 95.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.029 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -55.48 -39.29 70.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -58.86 -42.58 89.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.32 -39.35 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.3 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.02 -40.12 92.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.125 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.5 -44.01 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.3 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.0 m -62.83 -45.95 90.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.651 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.43 -43.61 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.375 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.85 -34.17 75.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.68 -34.74 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.16 118.22 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.15 -33.12 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 727' ' ' PHE . . . . . 0.53 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 80.2 t80 -60.86 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.72 94.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.55 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.1 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -59.8 -45.82 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.29 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 731' ' ' GLU . . . . . 0.53 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 97.0 mt-10 -63.5 -47.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.87 -35.38 80.93 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.79 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.477 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.35 95.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.552 0.215 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.88 -22.7 55.8 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.533 2.155 . . . . 0.0 112.627 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 746' ' ' LEU . . . . . 0.536 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.2 mm? -63.11 -37.83 88.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.16 -45.47 91.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.69 -40.64 95.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.99 -36.72 84.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.56 94.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 751' ' ' THR . . . . . 0.494 ' O ' HG23 ' B' ' 755' ' ' THR . 25.0 p -66.53 -34.93 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 752' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' B' ' 755' ' ' THR . 6.4 t -57.71 -43.02 84.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.319 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.0 m -65.31 -49.19 70.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -61.56 -38.83 88.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 755' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 751' ' ' THR . 17.6 p -61.79 -34.67 76.32 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.004 0.431 . . . . 0.0 110.361 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.39 -45.91 78.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.01 -47.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-O 121.326 0.584 . . . . 0.0 111.356 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.163 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -56.07 -30.71 79.94 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.91 2.407 . . . . 0.0 111.946 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -62.11 -36.76 82.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.9 m -64.67 -42.0 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.06 -44.4 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.055 0.455 . . . . 0.0 110.522 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.68 -42.94 96.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.306 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.42 ' CH2' HD11 ' B' ' 719' ' ' ILE . 37.0 t90 -54.88 -38.93 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.92 -40.82 90.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.68 -38.04 86.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.47 -40.54 94.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.348 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.42 HD11 ' CH2' ' B' ' 715' ' ' TRP . 68.4 mt -61.84 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 98.1 m -63.02 -45.83 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.735 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.85 -43.52 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.66 -34.32 75.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -68.7 -36.04 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.451 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -69.23 117.15 10.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -66.37 -29.4 69.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.635 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.59 -33.94 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.426 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.498 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 64.8 t80 -60.71 -46.06 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.04 87.32 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.28 -37.94 87.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.88 -37.22 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.928 0.394 . . . . 0.0 110.564 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . 0.498 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.3 mt-10 -58.42 -49.33 77.67 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.81 -35.21 80.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.82 -40.13 96.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.7 -43.7 97.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.07 93.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -65.32 -40.39 93.67 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.645 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -79.62 15.18 1.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.621 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -85.96 16.07 4.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.943 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -73.92 -32.33 63.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.23 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -81.02 160.3 24.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.261 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 18.2 p -83.9 -23.48 31.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.69 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.37 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -93.97 -1.17 55.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -83.18 146.53 51.51 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -46.65 -34.02 14.54 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.552 2.168 . . . . 0.0 112.413 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.607 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -56.69 -36.79 70.04 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.821 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -62.24 -46.05 90.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.598 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.68 -41.55 95.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.412 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.31 -40.65 82.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.11 90.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.7 m -63.07 -44.72 94.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.579 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -60.51 -35.25 75.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 82.4 m -63.43 -46.94 84.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -59.98 -41.36 91.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.7 m -55.19 -39.28 69.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.287 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.67 -49.66 67.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.95 -49.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.091 0.472 . . . . 0.0 110.932 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -10.85 22.89 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.281 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -159.12 77.52 0.73 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.727 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -82.54 -126.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.781 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.41 93.55 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.568 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.96 -20.19 51.34 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.813 2.342 . . . . 0.0 111.947 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.81 -37.84 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.589 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.0 m -64.57 -38.95 92.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.8 mp -62.77 -41.91 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.439 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.71 -43.86 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.441 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -60.16 -42.75 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.98 -36.23 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.88 -40.8 96.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.266 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.88 -41.24 95.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.361 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.68 -43.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.452 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.3 m -60.36 -48.16 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.614 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.37 -43.59 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.716 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.04 -34.7 76.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.5 t0 -69.11 -36.17 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.506 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.63 104.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.695 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.49 -35.0 79.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -58.22 -36.85 73.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.523 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 85.4 t80 -60.83 -47.72 85.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.562 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.92 87.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.447 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.84 -42.51 99.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -59.76 -44.26 93.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.266 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . 0.523 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 95.2 mt-10 -61.09 -45.66 93.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.778 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.47 -41.94 92.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.56 -38.62 87.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -61.76 -42.61 99.2 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 110.412 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.17 94.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.95 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.569 ' O ' ' CE2' ' B' ' 739' ' ' TRP . 4.7 ptt-85 -69.39 -34.96 75.3 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.996 0.427 . . . . 0.0 110.256 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -97.72 33.66 2.03 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.477 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 27.5 ttpt -88.21 15.71 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.852 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.569 ' CE2' ' O ' ' B' ' 736' ' ' ARG . 1.7 p90 -147.68 -36.35 0.21 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.568 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' B' ' 741' ' ' THR . 38.9 t0 -49.48 -178.58 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.08 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.484 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 4.9 t -55.61 -13.54 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -58.64 -24.91 62.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 5.2 m120 -89.13 -2.12 58.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.194 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -75.55 134.76 72.54 Favored Pre-proline 0 N--CA 1.447 -0.59 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -46.09 -35.46 14.79 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.694 2.263 . . . . 0.0 112.527 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.81 -31.86 72.12 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.441 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -61.87 -46.26 90.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.678 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.9 -42.27 97.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.383 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.98 -39.43 89.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.0 85.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.534 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 80.8 m -62.42 -44.99 95.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.693 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 38.7 t -61.55 -36.44 80.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.5 m -63.26 -44.37 95.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.658 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.95 -37.1 75.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.434 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -57.59 -42.12 82.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 759' ' ' TYR . 23.3 t-20 -64.72 -47.28 78.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.7 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.93 -48.41 79.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -15.24 63.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.418 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' B' ' 756' ' ' ASN . 71.7 t80 -155.8 117.91 4.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.794 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 760' ' ' ARG . 13.6 ttp85 -137.34 39.81 2.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.659 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.52 68.52 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.553 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.05 -37.92 79.7 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.764 2.309 . . . . 0.0 112.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.57 -41.88 96.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.7 -38.49 91.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.0 tt -62.53 -44.06 97.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.961 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.09 -44.34 99.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.447 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -64.4 -45.16 88.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.705 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.39 -35.86 81.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.412 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.165 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.39 -40.11 95.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.669 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.44 -43.88 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.139 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.1 m -62.58 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.475 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.65 -43.14 96.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -59.26 -29.71 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -71.14 -9.1 57.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.543 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -76.67 138.09 39.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.465 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -71.69 -35.67 70.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.641 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.85 -39.21 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.335 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.01 -44.41 97.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.438 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.04 93.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.57 -43.27 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.685 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.75 -43.48 97.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.326 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -57.52 -43.21 84.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.23 -41.38 94.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.35 -34.55 78.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -60.59 -44.18 96.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.295 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.75 92.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.727 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' B' ' 738' ' ' LYS . 17.0 mmm180 -65.18 -38.34 90.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -72.86 13.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.524 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' B' ' 736' ' ' ARG . 71.9 tttt -93.29 20.79 6.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -129.29 19.1 5.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.97 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' B' ' 742' ' ' ALA . 97.0 m-20 -80.06 -178.92 6.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.118 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 18.1 p -50.61 -15.34 0.26 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' B' ' 740' ' ' ASP . . . -59.75 -24.53 64.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.745 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 4.8 m120 -89.88 -9.48 48.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.98 145.43 65.67 Favored Pre-proline 0 N--CA 1.454 -0.252 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.448 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.54 -19.67 54.41 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.378 2.052 . . . . 0.0 112.215 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.544 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -67.97 -33.92 75.57 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -61.82 -46.8 87.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 111.438 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.419 ' O ' ' OG1' ' B' ' 751' ' ' THR . 12.6 pttm -65.35 -35.08 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.208 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.47 -38.73 92.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.711 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.06 90.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.759 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 31.9 p -66.06 -35.43 80.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.723 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 755' ' ' THR . 11.6 t -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.1 m -64.11 -46.3 84.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.749 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.37 -43.72 96.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.015 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 752' ' ' SER . 23.5 p -57.06 -34.47 68.28 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -67.43 -48.69 66.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.707 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.16 -48.49 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 111.152 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.76 -11.31 4.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.155 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.483 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 88.4 t80 -111.12 70.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.819 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -139.22 102.35 4.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.507 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 84.6 11.86 76.48 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.5 179.819 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.437 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 76.5 p . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' B' ' 709' ' ' SER . 41.6 Cg_endo -67.26 144.24 67.63 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.743 2.295 . . . . 0.0 112.136 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -43.73 -29.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 89.2 m -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 710' ' ' PRO . 48.3 tp -63.15 -43.66 97.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . 0.681 HD12 ' N ' ' B' ' 714' ' ' ILE . 2.2 mp -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.333 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -57.08 -43.71 82.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.412 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -61.79 -38.1 86.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.35 -40.19 89.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.395 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.603 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.63 -42.35 98.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.163 0.506 . . . . 0.0 110.465 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.25 -44.28 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.322 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.8 m -61.64 -44.92 96.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -43.4 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.454 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -65.89 -28.24 68.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.19 -16.68 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.66 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -81.08 133.42 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -65.47 -36.96 85.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.562 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -58.0 -35.47 71.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.477 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -61.23 -45.16 95.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.332 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.19 83.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.538 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.85 -43.39 98.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.763 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -61.35 -41.66 97.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.44 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.29 -40.96 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.1 -42.59 99.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' B' ' 737' ' ' ALA . 96.2 mt-10 -66.99 -34.34 77.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.095 0.474 . . . . 0.0 110.476 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -67.1 -43.1 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.446 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -68.13 -49.13 63.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -66.52 -34.79 78.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.398 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 733' ' ' GLU . . . -105.2 43.44 1.11 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.087 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -78.02 15.81 0.84 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.127 0.489 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.404 ' H ' ' C ' ' B' ' 737' ' ' ALA . 3.8 m-90 -91.25 45.86 1.27 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.525 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' B' ' 741' ' ' THR . 44.5 t0 -118.87 -177.23 3.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.418 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.512 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 15.5 m -45.57 -16.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.345 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -61.77 -27.15 68.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.581 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -84.02 -15.79 46.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -70.96 144.89 90.93 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.38 -27.35 40.28 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.593 2.195 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.15 -33.74 75.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.396 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.69 -46.02 91.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.721 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -62.91 -41.69 99.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.384 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -58.6 -40.52 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.489 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.41 89.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.519 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 18.9 m -61.59 -44.2 97.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.578 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.5 t -59.14 -40.27 84.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.594 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -63.3 -45.0 93.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -59.18 -40.71 86.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.2 m -55.77 -38.92 70.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -66.2 -48.98 68.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.2 mt -66.53 -50.14 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.019 0.437 . . . . 0.0 110.874 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -14.05 40.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.525 ' CD2' ' N ' ' B' ' 760' ' ' ARG . 73.9 t80 -165.73 -100.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.778 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.525 ' N ' ' CD2' ' B' ' 759' ' ' TYR . 38.0 ttm-85 -164.72 126.34 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -65.96 77.05 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 13.6 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.54 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.74 159.02 54.05 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.77 2.313 . . . . 0.0 112.038 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.74 -35.23 72.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.391 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.7 m -60.08 -41.36 92.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.653 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.17 -42.73 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.502 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.01 -44.35 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -64.7 -45.64 85.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -62.98 -38.15 90.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.32 -42.64 91.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.064 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.87 -42.07 97.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.478 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.82 -43.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.331 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.1 m -60.71 -44.98 95.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.43 -44.0 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -62.22 -33.22 74.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -70.25 -19.0 63.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.692 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.26 126.77 35.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.493 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -77.14 -20.94 54.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -62.96 -35.49 80.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.327 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.487 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 63.1 t80 -60.63 -46.97 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.77 83.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.95 -43.67 94.89 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 120.669 0.271 . . . . 0.0 110.396 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -61.05 -43.77 98.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.261 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . 0.487 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 96.4 mt-10 -59.05 -46.81 87.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.754 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.73 -42.16 98.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -67.46 -36.58 81.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -60.7 -44.0 97.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.527 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' B' ' 738' ' ' LYS . . . -63.39 -41.31 98.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.78 -37.97 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.729 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -81.87 27.02 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' B' ' 735' ' ' ALA . 52.6 mmtt -79.31 23.17 0.39 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.431 ' H ' ' C ' ' B' ' 737' ' ' ALA . 4.9 t90 -108.77 11.81 26.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.16 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -128.7 178.07 6.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.071 0.463 . . . . 0.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 10.3 p -88.16 -16.95 32.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -60.76 -22.24 63.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -93.85 -4.97 49.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.659 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -75.27 145.37 79.94 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.05 -18.83 46.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.608 2.205 . . . . 0.0 112.412 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.9 mt -80.62 -25.63 38.27 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.62 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -64.99 -47.95 75.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -66.61 -36.16 81.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.24 -37.57 87.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.84 99.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 32.9 p -67.5 -35.94 80.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.1 t -60.82 -41.23 95.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.465 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.7 m -63.1 -45.31 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.624 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.37 -40.63 87.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.467 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.3 m -55.67 -39.94 71.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.388 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' B' ' 759' ' ' TYR . 39.4 t30 -64.75 -46.14 83.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.779 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.04 -49.45 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.11 0.481 . . . . 0.0 111.262 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -14.51 31.06 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.514 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 756' ' ' ASN . 83.7 t80 -145.94 109.42 4.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.941 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' B' ' 760' ' ' ARG . 15.4 ttp85 -152.9 26.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.659 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -62.31 -28.17 70.49 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.405 ' H ' HG23 ' B' ' 762' ' ' THR . 29.1 p . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.646 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.423 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 12.3 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' B' ' 709' ' ' SER . 41.1 Cg_endo -66.78 -21.5 51.03 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.752 2.301 . . . . 0.0 111.981 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.07 -33.9 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 87.2 m -64.15 -38.87 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.9 mm -64.17 -44.63 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -61.52 -48.95 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.92 -34.69 75.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.85 -40.04 91.39 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -37.69 86.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.426 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.15 -43.88 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.247 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 97.7 m -63.27 -45.07 93.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.794 0.33 . . . . 0.0 110.656 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.58 -41.95 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.309 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -57.22 -28.64 63.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 55.1 t0 -71.48 -9.06 57.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.483 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -81.64 146.56 30.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -75.02 -24.75 58.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.492 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.87 -40.8 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.41 -44.66 95.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.478 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.497 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.14 -42.55 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.66 -43.76 97.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.274 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -57.89 -43.45 86.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.75 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -37.49 86.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.506 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.8 -34.98 79.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -61.33 -44.3 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.92 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' B' ' 738' ' ' LYS . 99.6 mtt180 -61.67 -29.45 70.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.665 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -67.85 9.16 0.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.812 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' B' ' 736' ' ' ARG . 73.5 tttt -96.99 13.35 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.593 . . . . 0.0 110.822 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.432 ' O ' ' O ' ' B' ' 740' ' ' ASP . 6.0 t90 -92.56 23.0 4.25 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.846 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' B' ' 742' ' ' ALA . 54.5 p-10 -49.09 -179.06 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.201 0.524 . . . . 0.0 110.321 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 13.1 t -51.07 -27.51 8.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.7 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' B' ' 740' ' ' ASP . . . -59.45 -25.41 64.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.816 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 9.4 m120 -100.18 -14.21 18.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.61 147.21 88.93 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.569 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -45.83 -34.09 11.62 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.655 2.237 . . . . 0.0 112.159 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 62.5 mt -56.42 -34.09 66.44 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.118 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.75 -46.08 91.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -65.53 -40.79 93.32 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.1 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -57.44 -32.52 66.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.45 81.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.604 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 21.9 p -67.09 -36.01 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 110.712 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 36.7 t -59.28 -31.25 68.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.2 m -62.65 -45.11 94.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.725 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.23 -40.01 84.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.6 m -55.72 -42.77 75.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.271 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -63.57 -47.88 79.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.64 -46.74 88.53 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.179 0.514 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.63 -13.86 62.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.011 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.445 ' CD1' HG23 ' B' ' 762' ' ' THR . 78.9 t80 53.03 97.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.991 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.85 -68.63 0.33 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.785 0.326 . . . . 0.0 110.195 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.27 -39.46 97.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.445 HG23 ' CD1' ' B' ' 759' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.19 136.61 74.09 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.62 2.213 . . . . 0.0 112.206 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 711' ' ' GLU . 58.5 mp0 -69.24 -32.76 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.524 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 75.1 m -60.43 -44.7 95.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 93.6 mt -64.16 -42.51 96.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.821 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.67 -43.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -63.55 -48.83 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.12 -36.23 81.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.86 -41.01 95.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.377 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.33 -41.46 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.473 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.26 -43.97 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.424 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.1 m -61.49 -45.4 94.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.37 -43.75 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.477 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.33 -33.34 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 65.7 t0 -68.8 -35.9 77.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -67.32 131.27 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.966 0.412 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -77.14 -19.27 57.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.677 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -57.84 -45.4 86.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.36 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -63.98 -44.47 92.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.646 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.712 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -60.42 -43.9 96.29 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -60.9 -45.31 95.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.5 -46.41 90.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . 0.448 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -64.96 -39.04 92.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -67.03 -35.17 79.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.22 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -62.25 -41.63 98.6 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.39 88.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.345 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' B' ' 738' ' ' LYS . 84.5 mtt85 -67.08 -37.03 83.26 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.93 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -69.24 7.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.154 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' B' ' 736' ' ' ARG . 99.0 mttt -109.76 23.73 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.105 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -132.55 -20.04 2.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.583 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -161.87 167.73 24.24 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.076 0.465 . . . . 0.0 110.406 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 4.7 m -88.28 -24.27 23.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -69.59 -21.19 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -96.12 3.06 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.73 146.42 95.68 Favored Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.56 -23.55 49.76 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.506 2.137 . . . . 0.0 112.501 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.13 -26.39 56.3 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -62.82 -49.02 76.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.962 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.51 -34.35 75.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.74 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.66 -32.91 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.557 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.54 82.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 40.8 p -67.13 -38.47 85.62 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.787 0.327 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 95.8 p -62.38 -31.01 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.1 m -63.26 -45.59 90.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.723 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.32 -40.56 86.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.6 m -56.5 -39.96 74.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.321 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.32 -46.41 83.66 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.752 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -69.97 -48.13 64.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.289 0.566 . . . . 0.0 111.123 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -14.03 30.5 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.369 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.518 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 93.3 t80 -86.31 2.61 46.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.536 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' B' ' 759' ' ' TYR . 2.4 tpm_? 58.14 116.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.686 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -65.84 -38.05 93.95 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.589 -179.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.4 144.61 99.36 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.709 2.273 . . . . 0.0 112.06 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.37 -38.94 88.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.615 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.53 -39.26 93.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.473 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.54 -42.3 99.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.219 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -56.17 -40.8 74.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.03 -35.06 78.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.379 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.577 HD13 ' O ' ' B' ' 717' ' ' LEU . 0.2 OUTLIER -60.23 -43.35 96.11 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.415 -179.045 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.438 ' N ' HD12 ' B' ' 718' ' ' LEU . 11.1 mp -63.04 -40.11 96.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.14 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 84.4 mt -62.54 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.014 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.0 m -61.14 -43.57 98.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.339 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.41 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.283 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.79 -26.77 67.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.854 0.359 . . . . 0.0 110.63 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -72.65 -7.57 51.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -84.29 134.34 34.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.435 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -64.97 -39.52 93.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.36 -45.52 88.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.612 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -68.28 -38.18 81.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.646 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.67 89.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -39.91 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -66.75 -38.73 87.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.685 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -59.02 -49.12 79.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -66.87 -38.32 86.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.962 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -66.74 -35.65 80.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.601 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.56 -44.97 95.56 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.46 87.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.687 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.5 ' C ' ' H ' ' B' ' 738' ' ' LYS . 99.8 mtt180 -65.93 -37.13 85.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -71.85 18.69 0.08 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' B' ' 736' ' ' ARG . 69.1 mmtt -97.89 11.4 37.51 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -56.03 -13.9 2.25 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 742' ' ' ALA . 28.0 t70 -72.41 -177.82 2.33 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.206 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.485 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 5.7 t -44.19 -16.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 0.0 110.592 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -58.92 -20.81 55.24 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 738' ' ' LYS . 2.8 m120 -94.78 -5.01 46.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.717 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -67.27 145.95 98.73 Favored Pre-proline 0 N--CA 1.449 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.13 -31.21 45.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.649 2.233 . . . . 0.0 112.565 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -32.04 73.42 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -62.9 -45.84 90.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.685 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -63.72 -43.33 96.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.26 -39.35 86.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.97 82.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.485 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.5 m -61.02 -45.41 94.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.424 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 74.8 m -60.12 -37.96 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 96.6 m -63.54 -44.48 94.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 36.5 t80 -58.98 -43.28 91.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.44 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.8 m -61.32 -36.16 79.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.89 0.376 . . . . 0.0 110.741 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -60.92 -43.05 99.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.99 -46.72 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.978 0.418 . . . . 0.0 110.663 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 99.8 m -63.19 -19.06 64.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.548 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.446 ' CZ ' ' OG1' ' B' ' 762' ' ' THR . 82.8 t80 -149.48 117.14 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.601 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 -71.21 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.662 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -64.76 -39.78 96.89 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.446 ' OG1' ' CZ ' ' B' ' 759' ' ' TYR . 32.8 m . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.485 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -60.96 150.83 81.98 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 123.053 2.502 . . . . 0.0 111.996 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.92 -33.18 75.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.02 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.622 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.403 ' N ' HD12 ' B' ' 713' ' ' LEU . 10.0 mp -64.12 -41.66 97.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.671 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.57 -43.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.416 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.03 -43.86 91.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -61.29 -40.74 95.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.604 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.25 -37.54 85.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.276 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.91 -46.63 96.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.454 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 93.6 m -62.27 -45.01 95.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . 0.412 HG23 ' CG ' ' B' ' 727' ' ' PHE . 97.9 mt -62.85 -43.53 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -60.55 -36.78 79.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.476 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -70.52 -18.6 62.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -91.69 105.04 17.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.57 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.55 -36.66 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -58.6 -40.71 83.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.412 ' CG ' HG23 ' B' ' 721' ' ' ILE . 16.2 t80 -62.61 -43.56 98.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.33 72.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.449 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -61.42 -43.02 99.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -62.11 -42.16 98.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.346 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -57.19 -43.01 82.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.25 -42.37 98.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.15 -39.35 89.74 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.35 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -70.14 -41.64 73.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.54 -26.02 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.268 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -57.71 -31.02 65.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.248 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -87.22 12.26 12.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -93.57 20.94 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' B' ' 739' ' ' TRP . 75.4 t-105 -80.87 11.08 4.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' B' ' 742' ' ' ALA . 42.9 t0 -74.99 -178.92 4.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.311 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.475 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 2.8 t -47.32 -13.75 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.604 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' B' ' 740' ' ' ASP . . . -65.01 -18.94 65.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.766 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -102.17 5.97 40.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -76.81 146.99 77.07 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -45.47 -35.07 11.65 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.692 2.261 . . . . 0.0 112.414 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.524 HD12 ' N ' ' B' ' 746' ' ' LEU . 10.8 mp -61.2 -32.46 72.21 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -60.89 -46.04 92.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -64.93 -41.58 95.42 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.048 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.31 -39.42 82.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.03 87.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.661 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 89.4 m -60.56 -42.94 97.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 91.1 p -55.53 -41.0 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.381 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.8 m -64.74 -45.18 87.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.539 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' B' ' 758' ' ' THR . 41.9 m-85 -63.44 -35.21 79.69 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.356 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.4 m -58.74 -40.8 84.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.978 0.418 . . . . 0.0 110.715 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.36 -42.63 99.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.489 ' C ' ' H ' ' B' ' 759' ' ' TYR . 1.3 mt -89.32 -50.5 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.512 ' N ' ' O ' ' B' ' 754' ' ' PHE . 29.6 m -55.71 -4.16 0.1 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.525 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.489 ' H ' ' C ' ' B' ' 757' ' ' ILE . 54.7 t80 -147.92 76.41 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.394 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -95.78 6.55 48.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 84.27 14.61 71.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 65.6 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.471 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 26.3 p . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 709' ' ' SER . 45.5 Cg_endo -68.39 157.04 63.51 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.825 2.35 . . . . 0.0 112.0 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . 0.658 ' H ' ' CD ' ' B' ' 711' ' ' GLU . 1.6 pm0 -54.78 -26.03 31.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.361 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.1 m -65.64 -43.63 88.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.498 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.671 HD23 ' O ' ' B' ' 713' ' ' LEU . 2.5 tt -62.78 -45.66 91.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.206 0.527 . . . . 0.0 110.356 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.22 -43.58 98.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -57.42 -41.14 79.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.34 -38.82 90.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.486 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -38.38 89.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.98 -41.36 96.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.52 -46.83 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 99.9 m -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.23 -43.95 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.452 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.33 -27.67 69.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.4 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -71.95 -9.03 57.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -89.84 127.84 36.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -66.26 -36.03 81.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.51 -46.06 87.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.568 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -68.6 -38.67 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.706 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.83 86.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.463 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.32 -45.08 94.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.542 0.21 . . . . 0.0 110.659 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -60.52 -44.51 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.442 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.11 -46.41 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -64.32 -36.17 83.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -65.56 -37.79 87.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -61.84 -44.01 97.69 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.19 86.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.39 -38.91 92.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' B' ' 739' ' ' TRP . . . -91.0 34.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.584 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.491 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 26.2 pttm -71.35 10.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.194 0.521 . . . . 0.0 111.311 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.501 ' O ' ' CE3' ' B' ' 739' ' ' TRP . 48.7 t90 -78.43 15.55 0.97 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.465 ' C ' ' N ' ' B' ' 742' ' ' ALA . 40.4 t0 -79.56 -178.7 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.461 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 6.1 t -45.65 -18.13 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.142 0.496 . . . . 0.0 110.448 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' B' ' 740' ' ' ASP . . . -62.96 -14.63 49.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.221 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' B' ' 738' ' ' LYS . 1.8 m120 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.661 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -61.77 146.42 90.79 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.74 -23.21 56.18 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.638 2.225 . . . . 0.0 112.304 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.544 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -64.25 -33.76 76.56 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.404 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -76.95 -42.63 38.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.631 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -64.38 -49.8 70.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 750' ' ' ALA . 2.0 pp20? -63.18 -36.81 84.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.127 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.408 ' N ' ' CD ' ' B' ' 749' ' ' GLU . . . -68.01 -38.06 82.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.508 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.6 m -62.36 -44.25 96.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.529 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 89.6 p -60.2 -31.47 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 16.2 m -63.29 -44.83 93.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.662 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.81 -40.91 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 8.9 m -55.78 -40.26 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.182 0.515 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -64.89 -47.29 78.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.4 -49.6 64.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.025 0.441 . . . . 0.0 110.914 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -15.05 44.1 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.289 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 94.1 t80 -100.22 6.3 44.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.224 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.417 ' HG3' HH11 ' B' ' 760' ' ' ARG . 37.4 ttm-85 -49.46 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' B' ' 762' ' ' THR . . . -158.8 -75.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.426 ' O ' ' O ' ' B' ' 761' ' ' GLY . 57.8 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' B' ' 710' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' B' ' 709' ' ' SER . 35.8 Cg_exo -58.89 144.98 98.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.589 2.192 . . . . 0.0 112.182 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.14 -34.77 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.418 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 97.4 m -62.84 -42.94 99.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.581 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.34 -43.76 96.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.63 -43.52 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.395 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -61.67 -42.6 99.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.76 -37.38 86.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.512 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.54 -41.29 97.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.412 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.82 -39.18 93.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.619 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.5 -44.48 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.249 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 22.6 m -62.68 -48.82 77.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -66.19 -43.93 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.68 -35.95 79.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.23 -35.23 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.29 98.17 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.59 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -63.97 -31.69 72.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.92 -32.54 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -59.12 -46.29 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.65 99.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.33 -40.44 96.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.35 -41.34 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.4 -50.07 74.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.69 -38.55 83.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . 0.509 ' CG ' HH21 ' B' ' 736' ' ' ARG . 92.7 mt-10 -66.93 -38.43 86.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.749 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -60.85 -44.42 97.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.525 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.73 98.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.509 HH21 ' CG ' ' B' ' 733' ' ' GLU . 84.7 mtm180 -64.72 -36.43 84.25 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.735 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -83.9 1.38 43.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.978 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -101.23 44.0 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.401 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 70.5 m95 54.09 101.99 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.53 ' O ' ' ND2' ' B' ' 744' ' ' ASN . 42.3 t0 -65.89 176.8 1.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.128 0.49 . . . . 0.0 110.422 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.516 HG23 ' N ' ' B' ' 742' ' ' ALA . 15.3 t -62.38 -42.12 99.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.587 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.516 ' N ' HG23 ' B' ' 741' ' ' THR . . . -63.2 -30.31 71.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -94.47 -2.3 52.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.455 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' B' ' 740' ' ' ASP . 4.6 m120 -83.04 145.43 49.4 Favored Pre-proline 0 N--CA 1.452 -0.326 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -47.37 -34.79 19.73 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.668 2.245 . . . . 0.0 112.389 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 98.7 mt -54.36 -34.01 60.24 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.309 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.3 -46.43 88.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.35 92.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.55 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.62 -39.0 79.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.523 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.7 88.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.44 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 19.6 m -63.58 -45.7 89.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' B' ' 755' ' ' THR . 38.4 m -63.91 -31.52 72.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.0 m -62.73 -43.77 97.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.731 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' B' ' 758' ' ' THR . 46.3 t80 -58.84 -43.37 90.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 752' ' ' SER . 22.2 p -65.02 -34.18 77.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.924 0.392 . . . . 0.0 110.907 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -62.14 -42.43 99.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -50.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.071 0.462 . . . . 0.0 110.294 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.588 HG21 ' CE2' ' B' ' 754' ' ' PHE . 11.7 m -61.54 -43.32 99.07 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.57 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.43 ' O ' ' CB ' ' B' ' 760' ' ' ARG . 66.9 t80 58.06 118.21 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' B' ' 759' ' ' TYR . 16.4 ttt-85 76.89 25.56 0.83 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.671 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.0 -27.36 70.29 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.653 -179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.417 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 47.0 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' B' ' 709' ' ' SER . 40.8 Cg_endo -67.88 -19.41 46.51 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.771 2.314 . . . . 0.0 111.972 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.71 -35.76 78.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.466 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 16.8 m -63.35 -46.09 88.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.487 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.73 -43.83 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -59.65 -41.28 90.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.451 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -59.58 -41.67 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.644 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.98 -37.9 86.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.54 -41.36 94.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.489 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 68.2 mt -61.16 -46.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 20.5 m -59.89 -47.53 85.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.548 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.79 -43.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.44 -31.95 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -70.63 -17.69 62.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -87.02 141.25 28.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.479 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -66.05 -23.75 66.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.86 -35.78 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -60.6 -43.47 97.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.71 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -61.58 -42.52 98.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.92 -42.91 99.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.325 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -56.98 -42.15 79.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -66.1 -37.17 85.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.527 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -61.88 -37.13 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -69.27 -41.69 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.555 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.08 67.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.708 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -63.26 -26.59 68.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 110.578 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.92 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.399 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -83.78 31.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.613 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.42 ' O ' ' O ' ' B' ' 740' ' ' ASP . 60.4 m95 -100.27 -1.57 35.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.053 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 741' ' ' THR . 44.3 t0 -49.04 179.68 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.476 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 25.7 p -71.23 -24.18 62.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.66 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -59.99 -24.05 64.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -93.71 -7.19 44.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.525 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -82.98 145.81 50.48 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.702 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.77 -20.43 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.767 2.312 . . . . 0.0 112.411 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 746' ' ' LEU . 11.0 mp -68.72 -31.41 70.46 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.357 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -61.63 -48.33 81.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.49 -33.71 75.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.871 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.2 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.563 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.6 87.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.608 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 63.1 p -65.09 -36.19 83.51 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.577 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 39.5 t -61.3 -39.36 90.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.4 m -62.98 -43.56 98.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' B' ' 758' ' ' THR . 56.5 t80 -58.29 -43.38 88.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.483 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.5 m -60.34 -40.3 90.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -60.1 -53.58 56.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' B' ' 759' ' ' TYR . 0.1 OUTLIER -74.16 -43.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.563 ' O ' HG22 ' B' ' 758' ' ' THR . 69.1 m -64.98 -1.37 2.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.498 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 53.2 t80 -130.6 49.24 2.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.761 HH11 ' H ' ' B' ' 760' ' ' ARG . 0.0 OUTLIER -62.88 -2.22 1.13 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' B' ' 759' ' ' TYR . . . -58.08 -27.84 60.41 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.59 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.22 144.57 80.85 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.742 2.295 . . . . 0.0 112.154 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' B' ' 713' ' ' LEU . 23.8 p -59.49 -48.81 80.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.469 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.591 ' N ' ' SG ' ' B' ' 712' ' ' CYS . 12.0 mt -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.823 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -43.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.358 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -60.32 -43.58 96.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.51 -35.91 77.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.518 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.572 HD13 ' O ' ' B' ' 717' ' ' LEU . 0.2 OUTLIER -62.81 -40.96 98.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.187 0.517 . . . . 0.0 110.349 -179.202 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.47 -40.46 91.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.208 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 -43.51 98.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.486 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.7 m -60.64 -43.0 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.478 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.19 -43.32 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -60.56 -35.06 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -69.44 -35.08 75.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.443 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -76.51 100.92 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -63.64 -32.7 74.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' B' ' 726' ' ' GLU . 56.1 mp0 -58.2 -37.26 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.462 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.02 -41.15 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.449 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.53 84.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.504 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -61.23 -40.58 94.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -67.08 -41.32 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.712 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -57.72 -49.38 76.73 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.28 -37.32 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -66.7 -37.23 84.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.56 -39.55 84.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 83.6 mtt85 -67.58 -18.01 64.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.79 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -97.4 27.6 4.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.77 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -109.3 25.97 11.18 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.706 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 53.3 t90 61.04 112.87 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 741' ' ' THR . 43.6 t0 -153.53 153.95 33.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.821 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.546 ' N ' ' OD1' ' B' ' 740' ' ' ASP . 9.3 m -64.15 -43.25 95.77 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.725 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.848 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 736' ' ' ARG . 7.2 m120 -81.02 -14.66 57.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.636 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.92 145.71 62.23 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.67 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -66.88 -23.83 47.06 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.653 2.235 . . . . 0.0 112.763 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.1 -35.13 77.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -61.12 -46.54 90.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.631 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.69 -42.32 95.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.355 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.09 -37.47 87.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.24 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.509 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 17.7 m -60.89 -44.74 96.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.452 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -33.44 70.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 10.5 m -62.83 -37.99 88.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -39.34 75.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 16.7 m -57.07 -38.94 74.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.318 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -67.62 -49.54 62.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.783 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 6.0 mt -64.78 -49.45 80.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.288 0.566 . . . . 0.0 110.944 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 1.1 t -63.14 -12.81 30.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.367 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -115.14 92.51 3.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.789 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -162.03 114.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.625 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -151.56 28.1 0.95 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.588 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.36 -38.17 72.86 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.557 2.171 . . . . 0.0 112.077 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.43 -38.65 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.744 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 99.5 m -63.31 -40.59 97.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.531 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.63 -43.16 99.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.8 -43.54 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -58.64 -46.27 87.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.447 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.59 -35.99 79.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.87 -40.59 95.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.044 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.16 -42.39 98.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.317 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 65.6 mt -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 18.9 m -62.13 -46.04 90.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.674 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.77 -44.07 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -61.33 -30.59 70.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.37 -33.85 73.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.622 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -68.34 131.53 45.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -77.38 -22.61 51.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.683 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.15 -44.54 94.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.615 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -66.05 -39.54 90.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.591 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.59 88.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.13 -44.21 97.13 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -61.2 -45.44 94.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.451 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.19 -47.99 83.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.11 -40.34 95.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.657 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.25 -35.89 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -62.63 -41.05 98.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.418 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.85 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.294 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.38 -25.55 63.3 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.03 0.443 . . . . 0.0 110.048 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -84.21 7.67 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.014 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' B' ' 743' ' ' ASN . 97.8 mttt -85.68 16.99 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.954 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -88.97 12.32 15.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.607 ' OD1' ' HB3' ' B' ' 742' ' ' ALA . 49.0 p-10 -58.46 -178.46 0.05 OUTLIER 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.273 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 19.4 p -49.6 -17.0 0.26 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.607 ' HB3' ' OD1' ' B' ' 740' ' ' ASP . . . -62.88 -29.62 70.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' B' ' 738' ' ' LYS . 4.6 m120 -99.75 4.29 45.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -83.01 146.89 52.89 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.409 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -44.24 -32.93 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.916 2.411 . . . . 0.0 112.194 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -61.01 -34.39 74.73 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.992 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -63.47 -45.8 89.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -65.04 -39.47 93.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.072 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.71 -38.68 82.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.66 96.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.62 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 35.2 p -66.94 -36.39 82.11 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.555 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.3 t -61.6 -41.13 97.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.56 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.2 m -63.03 -45.78 90.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.789 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' B' ' 758' ' ' THR . 54.3 t80 -57.7 -39.92 78.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 15.9 m -57.04 -42.49 80.58 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.298 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -68.45 -52.28 34.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.184 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.3 -45.62 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-O 121.429 0.633 . . . . 0.0 110.577 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' B' ' 754' ' ' PHE . 44.6 m -67.2 -4.02 9.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.234 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.536 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 75.5 t80 -123.67 19.54 9.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.484 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 139.11 -20.13 3.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.526 -179.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.445 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 66.9 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' B' ' 709' ' ' SER . 42.8 Cg_endo -67.01 -19.12 52.08 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.707 2.271 . . . . 0.0 111.931 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.36 -39.33 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.669 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.3 -38.74 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.721 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.22 -40.99 99.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.502 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.34 -43.77 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.413 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -59.87 -45.57 92.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.98 -38.87 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.98 -41.15 97.7 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.9 tp -57.23 -42.74 81.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.373 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 62.7 mt -62.47 -41.44 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -56.33 -35.72 67.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 9.7 mm -60.47 -44.15 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.59 -39.55 84.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 723' ' ' ASP . 67.1 t0 -68.89 -35.84 77.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -83.04 103.4 12.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.007 0.432 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.15 -33.43 75.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.671 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -58.14 -44.29 87.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.47 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -63.16 -43.6 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.67 91.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.56 -43.94 97.94 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 120.795 0.331 . . . . 0.0 110.399 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.71 -44.47 96.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.17 -45.15 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.95 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.94 -37.3 84.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.706 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.54 -43.52 98.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.812 0.339 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.91 81.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.91 -36.28 80.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -110.25 18.84 19.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -151.57 46.78 0.8 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.193 0.521 . . . . 0.0 110.495 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.445 ' CD1' ' OD1' ' B' ' 744' ' ' ASN . 1.7 t90 74.91 120.3 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.818 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' B' ' 741' ' ' THR . 28.0 t0 -126.06 -179.8 4.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.043 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.458 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 23.9 p -64.94 -30.55 71.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.85 85.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.655 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.55 2.91 56.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.099 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.445 ' OD1' ' CD1' ' B' ' 739' ' ' TRP . 52.7 m-20 -82.9 146.69 52.84 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -45.21 -33.51 8.5 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.618 2.212 . . . . 0.0 112.253 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 746' ' ' LEU . 1.1 tt -59.15 -35.37 73.39 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.68 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.43 -46.18 90.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -62.97 -40.72 98.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.396 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.46 -39.99 89.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.599 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.44 86.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.1 m -61.38 -41.81 97.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.607 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 11.6 t -57.98 -42.49 85.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.484 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.5 m -64.14 -46.35 84.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.798 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -62.06 -34.7 76.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.149 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 13.8 m -58.41 -42.19 86.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.459 . . . . 0.0 110.045 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -63.8 -44.97 91.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.242 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 7.0 mt -70.51 -46.1 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.506 0.67 . . . . 0.0 111.287 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -10.48 44.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.249 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.68 -45.81 88.61 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.448 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.473 ' NH1' ' C ' ' B' ' 762' ' ' THR . 0.0 OUTLIER 58.18 59.06 3.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.199 179.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.61 87.71 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.473 ' C ' ' NH1' ' B' ' 760' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.719 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.442 ' N ' ' CD ' ' B' ' 710' ' ' PRO . 26.3 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' B' ' 709' ' ' SER . 38.6 Cg_endo -66.71 -20.43 52.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.712 2.275 . . . . 0.0 111.986 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.68 -33.68 71.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.447 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -41.75 95.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.531 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.59 -41.78 99.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.458 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.17 -43.57 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 -57.93 -45.16 87.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.65 -38.41 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.22 -39.07 81.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.94 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.48 -38.65 88.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.263 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 32.1 mm -60.55 -43.89 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.248 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -62.58 -45.23 93.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.548 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.98 -43.42 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.448 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.96 -19.92 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.608 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -85.85 151.03 24.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -68.53 -20.29 64.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -58.41 -34.37 70.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.384 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.73 -45.39 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.537 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.15 -44.64 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -61.6 -42.64 99.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.433 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -57.13 -44.68 83.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -64.26 -39.77 94.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.443 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.63 -36.71 78.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.07 -44.51 97.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.417 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.98 89.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.496 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' B' ' 738' ' ' LYS . 95.9 mtt-85 -69.57 -36.21 76.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.674 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -73.71 11.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.106 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' B' ' 736' ' ' ARG . 89.9 mttt -79.98 19.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.781 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.545 ' O ' ' CD1' ' B' ' 739' ' ' TRP . 76.6 t-105 -98.91 13.44 32.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 742' ' ' ALA . 41.5 p-10 -53.83 -179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.09 0.472 . . . . 0.0 110.267 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.507 ' O ' ' OD1' ' B' ' 744' ' ' ASN . 2.1 t -50.75 -16.64 0.42 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.495 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.531 ' HB3' ' OD1' ' B' ' 740' ' ' ASP . . . -58.43 -20.4 44.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.608 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -96.0 1.17 52.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.507 ' OD1' ' O ' ' B' ' 741' ' ' THR . 25.7 p-10 -63.0 145.36 96.7 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.275 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.88 -29.01 50.32 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.657 2.238 . . . . 0.0 113.071 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.46 -37.55 84.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.273 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -67.67 -44.29 78.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.27 -40.73 97.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.269 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.3 -43.17 92.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.76 98.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 83.7 m -63.73 -44.58 93.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 37.8 m -60.84 -34.1 74.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 19.1 m -63.53 -45.17 91.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -59.38 -43.13 92.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.407 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.4 m -61.35 -36.34 79.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.61 -47.64 74.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.382 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 758' ' ' THR . 18.3 pt -70.18 -42.32 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.412 ' N ' HG13 ' B' ' 757' ' ' ILE . 0.6 OUTLIER -69.53 -25.85 64.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 -179.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.496 ' O ' ' CG ' ' B' ' 759' ' ' TYR . 90.1 t80 -89.85 3.56 52.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.6 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 60.88 120.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.462 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.38 99.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.535 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.05 93.22 0.72 Allowed 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.661 2.24 . . . . 0.0 111.914 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.81 -33.68 76.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.8 -41.66 98.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.48 -43.85 96.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.381 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -63.47 -47.85 80.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.13 -36.01 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.15 -40.22 95.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.43 -41.54 97.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.724 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.271 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.89 -43.5 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.41 -37.0 81.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -69.59 -34.17 73.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . 0.424 ' NH2' ' OE1' ' B' ' 726' ' ' GLU . 80.1 mtp85 -74.54 123.7 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.486 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.32 -19.33 56.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.712 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.424 ' OE1' ' NH2' ' B' ' 724' ' ' ARG . 96.1 mt-10 -57.6 -43.28 84.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -66.4 -39.1 88.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.79 -45.48 82.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.468 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.36 -43.18 98.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.703 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.93 -43.21 98.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.16 -43.85 82.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.768 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . 0.419 ' HB3' HH12 ' B' ' 736' ' ' ARG . 96.3 mt-10 -63.3 -39.45 94.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.35 -35.8 82.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.31 -43.03 99.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.352 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.07 81.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.591 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.419 HH12 ' HB3' ' B' ' 732' ' ' GLU . 83.7 mtt85 -64.36 -38.54 91.39 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -101.54 40.67 1.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.383 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -84.94 27.34 0.77 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.343 0.592 . . . . 0.0 110.224 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 32.8 t90 59.64 100.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.16 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -128.36 -178.26 4.49 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.238 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 73.9 m -61.64 -43.06 99.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.649 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.19 77.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -89.14 7.84 33.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 744' ' ' ASN . 48.9 p-10 -60.01 148.09 78.34 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.31 -34.12 17.91 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.566 2.177 . . . . 0.0 112.4 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.493 HD12 ' N ' ' B' ' 746' ' ' LEU . 11.1 mp -61.12 -34.4 74.92 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.073 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.19 -45.99 90.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.123 0.487 . . . . 0.0 110.702 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.49 -41.56 98.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.525 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.38 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.16 77.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.674 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 30.4 p -67.09 -36.06 81.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 15.7 m -59.66 -35.25 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 86.7 m -63.11 -45.63 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.836 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.522 ' CE1' ' OG1' ' B' ' 758' ' ' THR . 63.1 t80 -57.56 -39.3 76.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 14.9 m -58.18 -43.17 87.39 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.296 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -67.85 -51.99 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.7 mt -65.64 -45.46 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.38 0.61 . . . . 0.0 110.386 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.564 ' O ' ' N ' ' B' ' 760' ' ' ARG . 19.2 m -78.16 -0.9 30.15 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.072 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -49.9 85.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 758' ' ' THR . 21.5 tpt85 -157.99 107.61 2.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -66.09 -42.32 94.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.519 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . 0.444 ' CB ' ' CD ' ' B' ' 710' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' B' ' 709' ' ' SER . 30.9 Cg_exo -61.28 144.98 98.92 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.714 2.276 . . . . 0.0 112.01 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.69 -39.34 88.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.65 -43.71 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.06 -44.0 97.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.69 -43.72 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -60.62 -41.93 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -64.34 -36.76 85.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.314 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.18 -41.92 97.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.155 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.97 -41.14 97.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.434 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.5 -43.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.138 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.3 m -61.71 -45.13 95.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.22 -43.46 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.311 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -63.06 -34.5 77.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.509 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -70.4 -19.32 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.579 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -84.68 138.7 32.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.96 0.409 . . . . 0.0 110.554 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -76.63 -21.09 55.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.31 -40.47 86.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.342 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.77 -46.77 89.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.603 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.04 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -63.17 -44.09 96.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.703 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.2 -45.41 94.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.32 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -60.37 -48.53 81.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.517 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -65.35 -35.84 82.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -47.81 84.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.132 0.492 . . . . 0.0 110.353 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.96 96.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.519 ' C ' ' H ' ' B' ' 738' ' ' LYS . 79.3 mmt-85 -70.11 -36.09 74.6 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -69.82 14.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.807 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' B' ' 736' ' ' ARG . 45.2 tttp -88.99 13.4 12.96 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.27 0.557 . . . . 0.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -156.56 14.91 0.3 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' B' ' 742' ' ' ALA . 99.6 m-20 -100.36 -176.57 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.121 0.486 . . . . 0.0 110.225 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 6.0 p -45.42 -14.82 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.656 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -59.17 -27.61 65.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -91.79 3.22 55.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.027 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.88 135.1 63.71 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -45.64 -35.43 12.84 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.599 2.199 . . . . 0.0 112.558 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.526 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.1 mm? -63.04 -35.76 81.3 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.252 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.72 -43.4 96.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.715 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' B' ' 751' ' ' THR . 68.7 mttm -60.84 -38.84 86.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.227 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -57.65 -32.47 67.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.31 95.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 748' ' ' LYS . 72.0 p -62.7 -34.23 76.72 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 42.4 t -56.78 -43.1 80.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.225 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 98.6 m -64.15 -45.78 86.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.55 ' O ' ' N ' ' B' ' 758' ' ' THR . 51.9 m-85 -64.81 -36.1 83.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.384 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 11.3 m -57.26 -40.23 77.25 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.564 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -63.08 -43.83 97.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.059 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.523 ' C ' ' H ' ' B' ' 759' ' ' TYR . 1.8 mt -87.19 -51.1 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.327 0.584 . . . . 0.0 110.798 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.55 ' N ' ' O ' ' B' ' 754' ' ' PHE . 32.7 m -62.51 4.25 0.16 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.33 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' B' ' 757' ' ' ILE . 91.2 t80 -58.08 -45.0 87.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -163.53 124.7 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.932 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -63.69 -40.17 98.28 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 62.9 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.474 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.13 151.58 77.67 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.965 2.443 . . . . 0.0 111.998 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -54.71 -29.8 54.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.509 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 71.3 m -61.59 -46.5 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.382 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.513 HD22 ' N ' ' B' ' 713' ' ' LEU . 4.0 mm? -64.02 -42.69 97.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.71 -44.52 98.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.178 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -57.74 -38.88 76.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.89 -35.02 78.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.97 -42.62 94.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.275 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.447 ' N ' HD22 ' B' ' 718' ' ' LEU . 4.1 mm? -62.3 -41.7 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.643 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.74 -43.45 97.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.329 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.2 m -60.9 -45.07 96.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.13 -43.52 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.424 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.12 -35.97 76.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.28 -18.84 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.623 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -85.79 145.99 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.668 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -64.87 -22.53 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.25 -34.65 70.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.409 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 78.5 t80 -60.38 -46.09 91.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.602 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.27 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.35 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.071 0.462 . . . . 0.0 110.505 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.16 -43.01 99.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.171 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . 0.409 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 70.3 mt-10 -56.84 -37.37 71.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.325 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . 0.469 ' C ' ' HE ' ' B' ' 736' ' ' ARG . 94.2 mt-10 -63.08 -36.31 83.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' B' ' 736' ' ' ARG . 80.6 mm-40 -67.87 -34.73 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' B' ' 738' ' ' LYS . 93.8 mtt-85 -60.28 -47.22 86.94 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.23 -43.7 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.924 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' B' ' 733' ' ' GLU . 86.9 mtm180 -61.23 -43.0 99.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' B' ' 739' ' ' TRP . . . -85.18 -36.67 20.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.178 0.513 . . . . 0.0 111.42 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' B' ' 734' ' ' ARG . 75.7 tttt 36.35 29.17 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.49 ' N ' ' O ' ' B' ' 737' ' ' ALA . 28.3 m95 -133.63 9.7 3.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.235 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' B' ' 742' ' ' ALA . 21.6 t70 -93.84 -177.19 4.27 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.005 0.431 . . . . 0.0 109.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' B' ' 740' ' ' ASP . 4.8 m -42.27 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.4 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 740' ' ' ASP . . . -59.3 -10.68 3.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.658 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.16 8.77 40.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 747' ' ' TYR . 0.1 OUTLIER -58.36 147.35 68.31 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.306 -179.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.28 -44.37 29.32 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.265 1.977 . . . . 0.0 113.085 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 746' ' ' LEU . 10.2 mp -62.62 -27.39 69.18 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.343 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 50.7 t80 -65.77 -45.45 82.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.095 0.474 . . . . 0.0 110.686 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.33 -39.81 94.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.86 -32.63 74.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.782 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -57.17 -51.87 67.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 2.0 t -68.86 -37.18 78.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.686 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 16.1 m -57.28 -34.99 69.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.55 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 97.4 m -63.65 -44.75 92.9 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.502 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -57.93 -42.74 85.48 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.158 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 12.1 m -62.08 -36.16 80.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.281 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -65.32 -46.73 79.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.564 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.87 -48.66 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.225 0.536 . . . . 0.0 111.084 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.74 -12.17 9.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.41 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' B' ' 759' ' ' TYR . 92.3 t80 -92.46 -2.16 56.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.827 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 760' ' ' ARG . 7.7 mmm180 -64.31 -40.3 95.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.1 98.77 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.555 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 709' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 710' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.17 149.6 84.17 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.884 2.39 . . . . 0.0 112.047 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -50.89 -24.2 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 712' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.97 -46.0 75.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.045 0.45 . . . . 0.0 110.718 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 713' ' ' LEU . 4.0 mm? -63.62 -42.84 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.23 -43.06 95.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.029 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -55.48 -39.29 70.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -58.86 -42.58 89.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.32 -39.35 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.3 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.02 -40.12 92.35 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.125 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.5 -44.01 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.3 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.0 m -62.83 -45.95 90.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.651 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.43 -43.61 98.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.375 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.85 -34.17 75.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.613 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.68 -34.74 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.16 118.22 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.625 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.15 -33.12 68.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.53 ' CE2' ' OE2' ' B' ' 731' ' ' GLU . 80.2 t80 -60.86 -45.82 93.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.72 94.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.55 -42.36 98.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.1 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -59.8 -45.82 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.29 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . 0.53 ' OE2' ' CE2' ' B' ' 727' ' ' PHE . 97.0 mt-10 -63.5 -47.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.87 -35.38 80.93 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.394 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.79 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -60.82 -44.24 97.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.477 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.35 95.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.82 -40.29 94.96 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 110.662 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -83.24 16.06 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.651 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -83.99 18.24 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.212 0.529 . . . . 0.0 110.986 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -89.41 8.01 33.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' B' ' 741' ' ' THR . 49.9 t0 -81.81 158.2 24.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.21 0.528 . . . . 0.0 110.486 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.521 ' N ' ' OD1' ' B' ' 740' ' ' ASP . 42.6 p -71.7 -31.63 66.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.663 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.62 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.009 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -86.73 -9.48 55.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -82.86 145.98 51.32 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.88 -22.7 55.8 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.533 2.155 . . . . 0.0 112.627 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.536 HD22 ' N ' ' B' ' 746' ' ' LEU . 4.2 mm? -63.11 -37.83 88.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.206 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -63.16 -45.47 91.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.69 -40.64 95.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.99 -36.72 84.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.56 94.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.494 ' O ' HG23 ' B' ' 755' ' ' THR . 25.0 p -66.53 -34.93 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' B' ' 755' ' ' THR . 6.4 t -57.71 -43.02 84.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.319 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 20.0 m -65.31 -49.19 70.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -61.56 -38.83 88.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 751' ' ' THR . 17.6 p -61.79 -34.67 76.32 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.004 0.431 . . . . 0.0 110.361 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.39 -45.91 78.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.01 -47.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 CA-C-O 121.326 0.584 . . . . 0.0 111.356 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.4 -11.37 10.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.163 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -58.13 -47.88 81.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.633 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 20.3 tpt85 -163.94 118.41 1.52 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -77.43 61.95 3.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.526 179.934 . . . . . . . . 0 0 . 1 stop_ save_