data_2y4q_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 2y4q _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -26.72 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -65.65 -39.97 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -49.32 76.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.79 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 16.1 t -55.37 -37.68 45.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.532 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -68.3 -45.19 73.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.99 -37.76 69.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 7.4 t -62.06 -48.0 82.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.627 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 29.6 t -63.85 -33.4 75.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.226 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -37.47 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.67 -32.02 69.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.78 -11.03 74.85 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.957 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.31 41.36 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 63.13 11.49 39.2 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.288 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.65 130.11 10.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.97 0.385 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 3.4 mp -156.88 154.74 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.788 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -96.1 167.81 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.824 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.75 -46.32 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.759 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -46.44 78.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 14.8 mt-10 -69.8 -45.94 66.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.422 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.0 tp -66.28 -41.54 89.68 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.092 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.1 ttm-85 -61.39 -45.08 95.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.3 pt20 -62.09 -41.22 97.97 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.756 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.22 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.963 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.2 mt -77.69 -42.71 33.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.356 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -38.91 93.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.303 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.04 -11.91 59.35 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.556 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -11.44 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 111.278 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.5 4.16 28.68 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.998 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.424 ' CD2' HD22 ' A' ' 745' ' ' LEU . 90.5 m-70 -78.08 132.18 37.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.6 p -78.63 151.87 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.53 -39.68 80.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.02 83.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.82 99.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.1 mt -66.32 -41.18 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.04 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.13 64.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.141 0.496 . . . . 0.0 109.829 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.33 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.207 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.824 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.67 -42.71 90.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.065 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 33.4 p -68.48 -44.19 75.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.56 0.695 . . . . 0.0 110.015 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -47.73 78.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.739 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 71.2 m-85 -85.94 -37.16 19.35 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.2 t70 -69.49 62.26 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.873 0.368 . . . . 0.0 111.073 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -63.07 -27.03 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.33 -11.27 59.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.399 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.54 29.94 58.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.786 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -91.02 10.6 26.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.254 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 53.45 29.81 9.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.387 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.95 135.14 24.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.389 . . . . 0.0 111.399 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.8 tp -107.29 125.81 51.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.833 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.65 171.07 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.271 0.557 . . . . 0.0 111.884 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.61 15.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.027 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -50.08 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.722 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.81 -40.36 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.65 -34.79 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -56.81 -43.82 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.697 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -60.23 -31.26 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.428 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 38.2 ttm -56.84 -53.15 61.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -63.44 -40.56 97.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.93 76.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.37 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -35.96 70.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.617 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.752 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -55.64 -25.98 42.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -61.05 -49.64 76.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.494 ' HA ' ' OD1' ' A' ' 724' ' ' ASP . 0.1 OUTLIER -58.36 -46.69 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 17.3 t -55.37 -42.75 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.4 OUTLIER -59.73 -46.3 89.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.494 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.3 OUTLIER -63.53 -41.17 98.49 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.43 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.2 mt -70.94 -37.72 69.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 10.3 p -57.65 -47.99 80.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.891 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 0.8 OUTLIER -68.29 -49.55 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.206 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -36.7 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.83 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.52 -31.95 72.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.447 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 727' ' ' GLU . 9.9 mm-40 -60.18 -37.61 80.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.94 7.09 67.25 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.154 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 89.58 48.85 3.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.39 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 52.58 22.94 12.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.024 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -153.58 125.78 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 2.8 mp -157.52 157.74 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -96.54 169.37 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.792 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.84 -47.85 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -44.97 83.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.7 -45.88 67.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 3.9 tp -67.04 -39.21 86.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 0.0 109.847 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 16.6 ttm-85 -62.15 -47.02 86.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.98 -41.83 97.17 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.63 -31.26 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 750' ' ' HIS . 8.6 mt -79.09 -38.86 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.523 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -39.23 93.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.313 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.27 -14.32 68.67 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.538 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -90.5 -13.22 35.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.408 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.71 5.83 33.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 745' ' ' LEU . 64.1 m-70 -84.17 140.02 32.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 110.674 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.06 163.25 17.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.477 . . . . 0.0 111.58 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.54 -34.98 78.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.39 . . . . 0.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.73 -42.2 82.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 7.4 mt -66.43 -42.8 90.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.13 -36.92 80.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 761' ' ' LYS . . . -65.81 -50.33 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.236 0.541 . . . . 0.0 110.034 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.73 -44.93 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.283 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.792 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.85 -42.81 90.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.403 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 757' ' ' ALA . 14.3 t -68.51 -44.36 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.399 0.618 . . . . 0.0 110.325 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 757' ' ' ALA . 1.2 tmtm? -56.38 -47.86 78.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.591 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.656 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 69.9 m-85 -85.92 -35.56 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 51.0 t0 -68.89 62.22 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.62 -42.2 87.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.92 -13.25 61.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.339 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.21 37.47 72.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.883 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -88.65 10.16 21.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.26 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER 56.81 28.15 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.249 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -145.97 135.5 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.8 tp -105.38 124.73 50.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.576 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 170.35 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.313 0.578 . . . . 0.0 112.08 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -48.07 -33.67 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.46 -49.13 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -41.91 99.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -63.57 -35.38 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.62 68.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -59.48 -36.36 75.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.539 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 762' ' ' TYR . 2.9 ttm -56.9 -55.01 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -44.6 84.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.425 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -46.94 77.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -33.33 75.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.288 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -33.72 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.621 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -26.88 60.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.7 -40.78 97.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -49.25 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.65 -40.54 60.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.89 -41.29 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.414 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 14.5 m-20 -69.54 -44.63 70.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.808 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.88 -37.73 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 18.7 t -62.85 -45.21 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.18 78.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 18.2 m -67.28 -32.53 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.314 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.02 -40.38 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.707 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -68.53 -31.84 71.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.17 -32.44 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.376 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -79.6 -11.06 85.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.06 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.36 35.17 6.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.988 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 86.49 -47.13 3.69 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -102.38 135.26 44.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.42 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 0.4 OUTLIER -155.42 143.65 20.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.98 166.95 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.785 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -46.16 30.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.927 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.35 -46.55 76.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -70.18 -46.03 65.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.414 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.8 tp -65.35 -43.34 91.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 0.0 110.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 17.1 ttp180 -60.0 -44.74 94.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.469 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -58.26 -45.86 87.05 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.176 0.512 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -31.13 72.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 750' ' ' HIS . 6.7 mt -78.42 -43.51 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.679 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -63.33 -39.08 93.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.324 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -70.11 -8.85 62.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.594 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -10.03 25.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.581 0.229 . . . . 0.0 111.266 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 2.18 29.1 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.419 ' CD2' HD22 ' A' ' 745' ' ' LEU . 81.1 m-70 -82.98 136.85 34.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.62 156.21 25.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -60.48 -37.24 80.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.18 87.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.2 -42.48 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 6.9 mt -66.88 -39.41 83.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.993 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.31 -36.14 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.19 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 109.943 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.415 ' O ' ' HD1' ' A' ' 762' ' ' TYR . 63.0 mt -60.3 -44.75 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.188 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.785 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.4 m-85 -65.62 -42.1 91.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.918 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 15.4 p -68.27 -44.12 76.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.403 0.62 . . . . 0.0 110.206 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -57.42 -46.22 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.687 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.663 ' HE2' ' CE1' ' A' ' 762' ' ' TYR . 74.5 m-85 -86.06 -38.66 17.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -69.31 62.18 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -63.15 -29.28 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.256 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -74.53 -10.42 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.538 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 53.71 33.2 48.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.949 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -98.09 12.77 33.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 64.4 mm-40 49.84 36.52 11.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.438 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.29 126.7 14.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.96 0.41 . . . . 0.0 111.361 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 4.0 tp -106.44 124.3 49.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.814 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 71.5 p -124.38 177.87 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.354 0.597 . . . . 0.0 111.878 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -52.23 -31.84 34.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.1 -51.17 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.736 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.01 -39.26 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.34 -34.62 76.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -56.81 -42.38 79.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.653 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.47 -31.32 69.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.417 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 28.6 ttm -56.88 -49.97 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.794 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -41.94 98.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.84 -46.91 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -31.39 68.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.986 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -31.71 61.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.91 -49.6 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.406 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.2 OUTLIER -66.85 -41.47 87.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 110.768 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.44 -47.74 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.1 OUTLIER -61.38 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.584 179.535 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -59.34 -43.39 92.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.9 mt -70.95 -37.64 68.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.52 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.4 t -55.4 -47.88 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 1.0 OUTLIER -63.0 -49.39 74.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.068 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.0 t -61.95 -34.26 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.352 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -38.91 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.65 -31.91 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.89 -36.77 72.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -77.99 -11.06 85.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.847 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 102.83 36.13 3.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.833 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.5 -52.49 4.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.958 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.48 136.88 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.341 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 1.6 mp -155.41 154.0 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -108.94 175.5 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 111.633 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.64 ' HD2' ' CD1' ' A' ' 738' ' ' PHE . 2.5 m-85 -47.61 -52.16 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.802 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -63.32 -47.09 83.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -46.23 62.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.511 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.1 tp -66.18 -42.84 88.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.997 0.427 . . . . 0.0 110.203 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.8 ttm105 -60.56 -44.76 95.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.276 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -57.96 -45.5 86.58 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.072 0.463 . . . . 0.0 110.044 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -31.26 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.616 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.419 HD21 ' CG ' ' A' ' 750' ' ' HIS . 5.8 mt -78.92 -38.79 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.803 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -63.39 -39.02 93.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.238 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -64.83 -14.12 57.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.473 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -14.06 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.525 0.203 . . . . 0.0 111.251 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.97 8.81 25.37 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.051 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.419 ' CG ' HD21 ' A' ' 745' ' ' LEU . 92.3 m-70 -78.28 132.17 37.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 8.3 p -81.02 153.0 27.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.46 -38.28 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -39.39 89.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.637 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 8.3 mt -68.09 -40.06 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -36.71 80.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.15 -50.19 64.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.226 0.536 . . . . 0.0 109.816 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.406 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 59.5 mt -61.19 -47.64 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.47 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.761 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -65.99 -42.52 89.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.473 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.8 t -68.16 -44.22 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.467 0.651 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -56.67 -48.54 77.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.646 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 68.2 m-85 -86.03 -37.37 18.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 15.7 t70 -68.11 62.22 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.17 -25.06 67.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.306 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -76.06 -11.67 59.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 62.56 27.35 69.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.843 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -97.72 15.91 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.648 0.261 . . . . 0.0 111.271 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 46.31 34.68 2.33 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.461 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.61 139.28 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.12 135.64 54.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.545 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 46.5 p -124.79 176.15 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 112.028 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.62 -41.49 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.68 -51.08 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.95 -42.71 99.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -65.83 -34.75 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.77 -31.81 65.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.433 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.433 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 30.2 ttm -56.8 -45.79 82.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -44.56 88.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -46.9 76.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.79 -41.61 82.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -36.85 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 179.808 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -58.51 -22.12 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -72.15 -30.48 65.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.407 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.58 -49.71 24.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.915 0.388 . . . . 0.0 111.003 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 21.0 t -55.64 -35.02 37.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.335 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.55 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.406 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 23.6 m-20 -66.3 -44.03 84.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.786 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 6.0 mt -70.76 -46.16 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.443 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.5 t -58.82 -37.08 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.32 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 74.9 m -68.14 -32.71 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.593 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.5 -37.49 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -32.02 73.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.16 -27.67 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -84.0 -11.11 79.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 100.18 39.01 3.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.58 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.61 5.02 28.14 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.591 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -153.71 132.05 12.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.281 0.54 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 5.0 mp -155.84 157.67 36.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.777 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -97.13 169.66 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.242 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.612 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.78 -45.51 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.779 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -46.55 72.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.467 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 1.6 mm-40 -69.72 -46.24 66.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.419 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.1 tp -65.43 -42.94 91.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.983 0.42 . . . . 0.0 110.116 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.0 OUTLIER -60.36 -43.58 96.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.698 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.519 ' HG3' ' N ' ' A' ' 744' ' ' ASP . 3.1 pt20 -62.82 -36.41 83.09 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.793 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . 0.519 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 3.3 m-20 -72.17 -31.34 65.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.024 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 750' ' ' HIS . 6.9 mt -78.09 -44.02 27.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.423 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.89 92.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.312 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.38 -11.33 59.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.563 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.26 -10.65 23.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.566 0.222 . . . . 0.0 111.253 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 3.18 29.1 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.43 ' CD2' HD22 ' A' ' 745' ' ' LEU . 92.2 m-70 -78.86 133.37 37.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.4 p -79.38 152.97 30.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.83 80.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.7 mt -67.49 -41.54 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.13 -36.58 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.954 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.0 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 109.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.407 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 88.2 mt -60.81 -46.06 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.309 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 1.658 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.3 m-85 -65.61 -42.71 91.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.142 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 30.6 p -68.46 -44.19 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.484 0.659 . . . . 0.0 110.065 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -57.79 -44.91 86.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.615 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 59.7 m-85 -86.08 -35.97 19.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 60.2 t0 -67.31 62.42 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.264 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -60.66 -41.49 95.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.049 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -71.95 -10.13 59.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.321 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.37 35.1 60.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.74 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -90.36 10.94 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.631 0.253 . . . . 0.0 111.206 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 38.8 mm-40 52.95 29.21 7.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -144.79 134.93 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 111.349 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.59 126.46 53.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.675 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 55.7 p -127.3 -179.43 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.289 0.566 . . . . 0.0 111.852 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 -38.35 56.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.37 -51.38 67.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.42 -39.16 93.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 41.3 t-80 -68.07 -34.82 77.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -59.64 -34.59 73.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -64.91 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.616 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 2.8 mtt -56.81 -47.27 80.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.68 85.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -47.06 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.37 -41.1 93.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.85 -41.03 77.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.566 0.222 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.48 -34.0 47.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.575 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -65.14 -45.14 86.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.112 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.447 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 15.4 m -63.59 -49.2 74.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.106 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.35 -45.57 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.942 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -30.35 70.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.335 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -65.9 -44.72 84.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.457 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.02 -37.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.69 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 0.4 OUTLIER -58.78 -48.05 82.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.57 -48.71 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.1 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 30.1 t -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -40.08 76.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.28 -32.77 74.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.92 7.03 67.28 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.024 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.24 48.54 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.429 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 53.34 19.07 7.81 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.216 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.8 125.97 7.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 4.3 mp -156.45 160.02 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -99.38 170.0 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.92 -51.96 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.947 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.14 -46.58 86.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -68.54 -46.04 70.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.414 HD21 ' CZ ' ' A' ' 759' ' ' PHE . 4.1 tp -65.84 -39.15 90.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.012 0.434 . . . . 0.0 110.082 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.0 ttp180 -60.93 -46.84 89.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -58.05 -45.98 86.12 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.163 0.506 . . . . 0.0 109.841 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -31.06 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.325 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.0 mt -77.38 -41.44 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.527 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.11 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.151 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.41 -14.1 59.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.486 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -11.68 23.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.568 0.223 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.37 8.01 25.64 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.903 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.423 ' CD2' HD22 ' A' ' 745' ' ' LEU . 90.8 m-70 -81.41 134.31 35.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 6.5 p -84.94 159.89 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -38.17 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.67 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -46.44 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 10.0 mt -63.82 -37.92 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.64 -35.68 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.264 0.554 . . . . 0.0 109.799 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 54.1 mt -59.62 -45.86 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.32 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 1.665 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 2.0 m-85 -65.94 -41.82 90.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.102 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 36.8 p -68.46 -44.16 75.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.492 0.663 . . . . 0.0 110.18 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -46.86 86.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.788 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 58.8 m-85 -86.04 -39.96 16.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 4.7 t70 -70.15 62.23 0.21 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.327 . . . . 0.0 110.957 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -66.65 -23.62 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.8 p30 -78.28 -7.83 57.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.359 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.41 21.88 28.75 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.867 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -82.92 0.67 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 111.226 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.412 ' OE1' ' CE2' ' A' ' 738' ' ' PHE . 16.4 mm-40 58.91 30.38 20.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -141.93 128.07 19.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 111.319 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tp -100.51 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -117.41 167.39 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.314 0.578 . . . . 0.0 112.091 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -46.28 -29.84 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.61 -47.14 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -41.82 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.589 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 40.5 t-80 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -58.87 -32.25 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.36 -31.53 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.589 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 6.5 mtt -60.63 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.75 90.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -42.8 88.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.47 -45.43 93.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.253 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.11 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -57.9 -21.61 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.22 -49.46 67.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -49.1 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.33 -45.95 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.21 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -42.18 98.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.94 0.4 . . . . 0.0 110.575 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.62 -39.36 94.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.91 -40.88 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 1.7 m -60.24 -42.57 95.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -49.22 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 34.8 m -66.39 -32.66 74.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -37.74 77.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.06 73.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -77.5 -26.92 51.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.371 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 736' ' ' LEU . . . -83.15 -11.23 81.35 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.154 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.86 37.27 4.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.172 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 85.57 -50.25 4.3 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.203 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -102.27 125.35 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.773 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.436 ' CD2' ' HA3' ' A' ' 732' ' ' GLY . 4.6 mm? -132.07 135.96 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -88.93 164.76 15.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.439 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.636 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.8 -45.37 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.559 -179.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -46.43 78.59 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 29.3 mm-40 -69.07 -45.81 69.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.428 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.7 tp -66.16 -41.48 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.007 0.432 . . . . 0.0 110.085 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.6 ttm180 -62.13 -46.99 86.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 5.6 pt20 -60.24 -40.52 90.53 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.956 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.47 -31.25 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.938 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.0 mt -77.84 -40.54 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.553 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -39.19 93.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.273 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.25 -13.44 64.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.614 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -14.61 22.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 111.333 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.54 5.91 27.48 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.936 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.436 ' CD2' HD22 ' A' ' 745' ' ' LEU . 79.7 m-70 -79.01 132.68 36.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 12.4 p -79.71 154.59 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.24 -35.82 76.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.05 -48.07 81.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 755' ' ' ILE . 6.4 pt-20 -67.26 -37.42 83.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.989 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 754' ' ' GLU . 9.2 mt -70.21 -41.01 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.617 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.91 -34.0 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.09 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.079 0.466 . . . . 0.0 109.873 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.404 ' O ' ' HD2' ' A' ' 762' ' ' TYR . 54.5 mt -62.7 -44.97 99.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.3 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 1.672 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.5 m-85 -65.85 -42.87 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.155 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.7 t -68.68 -44.1 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.429 0.633 . . . . 0.0 110.264 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -56.29 -46.04 79.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.735 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.418 ' CE2' ' HE1' ' A' ' 778' ' ' MET . 71.1 m-85 -86.07 -36.94 19.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 52.3 t0 -67.7 62.35 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 111.35 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.27 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -85.66 -14.1 46.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.373 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.65 42.83 78.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.195 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -94.35 17.34 13.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.405 ' HA ' ' HD1' ' A' ' 738' ' ' PHE . 6.6 mp0 56.27 20.64 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.541 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -146.14 144.57 30.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.2 tp -111.66 130.87 55.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.731 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 26.5 p -112.79 162.5 15.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.262 0.553 . . . . 0.0 111.92 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.01 -30.77 11.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.043 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -68.38 -48.42 64.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.86 -41.01 99.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -68.35 -34.54 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -56.63 -34.43 67.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.5 -31.38 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.418 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 46.3 ttm -56.9 -50.43 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.5 92.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.11 -43.78 86.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -39.09 82.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.46 -45.82 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 111.019 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -24.29 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.21 -27.49 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.392 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.402 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.66 -49.57 25.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.034 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.11 -34.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -44.59 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.408 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.411 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 28.2 m-20 -66.16 -40.14 90.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.98 -47.74 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -47.91 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.841 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.5 pt-20 -56.25 -49.14 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.9 m -67.49 -32.83 73.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.884 0.373 . . . . 0.0 110.608 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -37.42 77.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -66.1 -31.87 73.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.88 -28.57 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.401 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -83.43 -11.14 80.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.943 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.2 5.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.016 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 83.8 -45.24 3.44 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.598 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -102.38 134.76 45.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 111.416 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.401 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 0.5 OUTLIER -156.46 145.46 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.754 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -94.31 167.11 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.315 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.804 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.6 -45.07 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.698 -179.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.42 -46.48 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.99 -45.96 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.413 HD21 ' CE1' ' A' ' 759' ' ' PHE . 4.0 tp -65.45 -43.53 90.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.248 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 25.6 ttp180 -59.35 -44.15 92.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.311 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -46.04 87.58 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -31.29 72.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.243 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.448 HD23 ' CG ' ' A' ' 750' ' ' HIS . 10.5 mt -78.1 -39.94 39.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.559 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -39.02 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.201 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.93 63.74 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.529 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -95.14 -14.07 24.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.638 0.256 . . . . 0.0 111.27 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.51 6.24 29.19 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.448 ' CG ' HD23 ' A' ' 745' ' ' LEU . 86.4 m-70 -79.63 133.92 36.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 155.24 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -58.74 -36.49 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.02 92.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.28 -41.42 85.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.0 -41.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.56 -35.98 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.159 0.504 . . . . 0.0 110.001 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 81.3 mt -60.83 -45.34 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.295 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 1.669 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.9 m-85 -65.75 -42.48 90.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.94 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 24.4 p -68.33 -44.32 75.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.31 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.8 -47.16 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.584 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.666 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 73.6 m-85 -85.99 -36.67 19.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 49.0 t0 -68.21 62.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.793 0.33 . . . . 0.0 111.315 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.65 -33.53 71.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -80.11 -13.83 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.56 39.56 75.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.007 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -90.39 12.64 17.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.61 0.243 . . . . 0.0 111.153 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 24.15 6.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.438 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -146.02 140.36 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.1 tp -111.8 129.68 56.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.958 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 167.12 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.178 0.513 . . . . 0.0 111.686 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -50.08 -30.54 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.51 -51.1 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.02 -37.39 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.639 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.89 -36.04 81.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.83 -33.63 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.45 -31.25 70.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 57.3 mtp -56.95 -54.9 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.023 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -43.69 98.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -47.09 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.59 -42.0 98.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.238 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -39.02 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.304 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.958 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.779 0.324 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -28.89 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.333 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -27.04 66.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.285 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -49.67 45.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.94 -35.65 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.55 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.414 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 42.5 m-20 -66.12 -45.34 81.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.06 -37.92 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 -48.01 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.814 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -61.4 -49.3 77.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.17 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.2 m -67.27 -32.51 73.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.965 0.412 . . . . 0.0 110.392 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 3.4 tm? -69.38 -42.79 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.842 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -65.62 -31.98 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -26.45 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.609 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.427 ' HA3' HD13 ' A' ' 736' ' ' LEU . . . -81.87 -11.19 83.07 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.222 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 98.73 32.92 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 88.68 -44.44 3.15 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.533 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.69 137.51 54.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.001 0.4 . . . . 0.0 111.409 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 1.5 mt -146.31 153.69 40.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.765 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.96 166.37 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.614 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.69 -45.41 28.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.851 -179.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.61 -46.55 75.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.6 -45.96 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 759' ' ' PHE . 6.1 tp -64.75 -45.46 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.08 0.467 . . . . 0.0 110.247 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.5 OUTLIER -59.31 -44.37 92.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.368 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -57.93 -44.24 86.77 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.157 0.503 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.08 -31.19 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.267 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 750' ' ' HIS . 8.3 mt -76.96 -42.22 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.471 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -63.49 -39.02 93.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.99 -14.59 61.42 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.442 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -95.35 -12.59 25.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.609 0.243 . . . . 0.0 111.203 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 7.83 25.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.965 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.429 ' CG ' HD21 ' A' ' 745' ' ' LEU . 90.7 m-70 -81.83 134.3 35.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 71.7 p -82.76 158.01 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -59.47 -36.71 76.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -43.11 97.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.8 mt -66.25 -41.07 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.242 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.49 -34.19 77.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.02 63.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 109.759 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.16 -47.12 94.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.342 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 1.647 ' HE1' ' CE2' ' A' ' 759' ' ' PHE . 0.8 OUTLIER -65.87 -43.03 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.381 -179.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.7 t -68.71 -44.31 74.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.468 0.652 . . . . 0.0 110.089 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -57.45 -43.89 84.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.457 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 44.9 m-85 -86.19 -39.97 16.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 7.5 t70 -69.4 62.29 0.15 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 111.361 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -24.25 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -79.01 -11.2 60.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.406 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.75 29.43 58.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.884 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -94.46 17.25 13.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 46.92 28.74 0.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -140.37 131.53 26.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 111.427 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -103.4 122.73 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.512 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -116.99 168.86 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.258 0.551 . . . . 0.0 111.967 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -48.38 -29.47 4.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.98 -49.84 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.87 -39.79 95.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.573 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 58.7 t-80 -68.11 -34.83 77.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.65 -35.05 76.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -64.8 -31.81 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.573 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 9.0 mtt -58.03 -47.71 82.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -44.59 95.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -46.84 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -29.16 68.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -34.53 71.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.12 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.594 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.6 tttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.44 -19.52 56.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -67.64 -42.5 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -49.4 65.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 50.1 t -55.81 -40.87 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -44.03 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.571 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.409 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 24.4 m-20 -64.78 -40.77 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.762 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.09 -45.82 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 775' ' ' HIS . 15.1 m -55.33 -48.03 74.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.747 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -59.79 -49.05 79.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.519 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 75.2 m -66.52 -32.82 74.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.61 -37.36 76.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 110.882 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.49 -31.96 73.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -34.06 60.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.401 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -77.9 -11.17 85.66 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.127 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.17 35.37 4.79 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.994 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 81.75 -53.54 4.72 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.399 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.41 130.3 49.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 111.354 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 1.4 mt -147.32 151.05 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -94.77 167.6 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.303 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.791 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.68 -45.85 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.909 -179.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.32 -46.55 76.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.09 -45.94 65.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.426 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.5 tp -65.03 -44.25 89.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.027 0.442 . . . . 0.0 110.255 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 10.6 ttp180 -59.72 -44.79 93.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.438 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -57.97 -45.33 86.89 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.232 0.539 . . . . 0.0 109.862 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -31.29 72.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.174 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 750' ' ' HIS . 7.0 mt -76.89 -40.97 45.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.488 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -39.06 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.224 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.34 -13.02 59.69 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.769 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -12.69 22.62 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.81 -0.23 . . . . 0.0 111.381 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.73 7.38 27.67 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.97 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.42 ' CG ' HD21 ' A' ' 745' ' ' LEU . 90.5 m-70 -80.33 133.74 35.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.9 p -80.94 155.33 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.11 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -36.29 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.26 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -67.04 -41.99 85.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 9.0 mt -67.59 -40.86 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.91 -35.38 78.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.94 -50.21 63.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.129 0.49 . . . . 0.0 109.935 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.91 -45.48 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.179 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.791 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.6 m-85 -65.69 -42.53 91.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.021 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 38.7 p -68.23 -44.17 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.449 0.642 . . . . 0.0 110.187 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -57.65 -46.95 83.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.8 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 68.5 m-85 -85.98 -38.73 17.63 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -68.62 62.21 0.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.688 0.28 . . . . 0.0 111.348 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.55 -19.94 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.1 -12.94 57.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.457 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.55 24.1 55.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.765 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 48.3 p30 -83.69 1.77 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 0.0 111.406 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 61.16 26.96 16.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -146.11 140.92 27.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 111.141 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tp -110.63 129.12 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.73 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 1.4 m -118.47 167.81 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 111.95 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -49.45 -32.15 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -66.49 -49.6 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -41.26 99.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.426 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 66.0 t-80 -64.14 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.727 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.0 66.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 21.2 mtt -56.77 -44.22 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -44.49 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.312 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.1 -46.94 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -42.68 96.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -34.93 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 32.7 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.319 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -22.52 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.6 -41.1 80.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -49.5 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.403 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . 0.402 ' HA ' HD11 ' A' ' 725' ' ' ILE . 22.0 t -55.4 -38.74 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.119 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -35.38 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.888 0.375 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -68.65 -44.05 74.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' A' ' 722' ' ' VAL . 3.4 mt -70.97 -37.86 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.749 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.452 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.2 t -62.0 -47.85 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.634 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.22 -46.58 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.192 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 32.4 m -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -37.4 76.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.28 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.96 -30.14 66.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -94.87 6.99 70.12 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.07 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.5 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 56.98 16.34 17.71 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.312 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.65 125.46 7.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.998 0.399 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 740' ' ' GLU . 0.4 OUTLIER -153.11 158.01 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.39 168.19 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 111.601 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.835 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -46.17 30.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.044 -179.597 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.55 -46.6 72.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.402 ' HB3' ' CD2' ' A' ' 736' ' ' LEU . 0.7 OUTLIER -69.92 -45.96 66.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.418 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.8 tp -64.76 -45.23 87.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.059 0.457 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -58.92 -43.43 91.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.184 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.86 -45.29 86.54 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.224 0.535 . . . . 0.0 109.811 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.04 -31.32 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.143 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.7 mt -75.52 -44.78 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -63.41 -38.9 92.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -12.83 61.65 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 -11.54 22.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.601 0.239 . . . . 0.0 111.238 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.63 3.24 28.83 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.92 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.429 ' CD2' HD22 ' A' ' 745' ' ' LEU . 88.2 m-70 -77.09 130.93 38.05 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.825 0.312 . . . . 0.0 110.811 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.21 151.63 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 -39.7 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.262 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.28 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.363 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -39.68 94.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.6 mt -67.63 -43.35 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.07 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.245 0.545 . . . . 0.0 109.87 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.417 ' CG2' ' CE ' ' A' ' 778' ' ' MET . 56.2 mt -61.92 -46.43 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.367 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 1.668 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.2 m-85 -65.83 -43.06 89.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.303 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.0 t -68.68 -44.27 74.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.526 0.679 . . . . 0.0 110.179 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -55.74 -48.55 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.792 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 69.7 m-85 -85.97 -35.39 20.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 10.6 t70 -68.87 62.24 0.11 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -65.63 -21.0 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.253 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -80.51 -12.75 59.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.33 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.76 25.66 56.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.693 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -90.97 10.88 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.695 0.283 . . . . 0.0 111.24 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 51.09 34.0 10.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.335 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -145.72 133.92 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.6 125.12 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.528 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 34.9 p -119.55 171.02 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 0.0 111.924 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.34 -34.51 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -48.33 73.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.86 -41.26 99.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 726' ' ' SER . 39.2 t-80 -63.22 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.782 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -68.56 -31.47 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.601 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 13.0 mtp -63.01 -55.16 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -65.65 -41.56 92.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.376 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -46.98 79.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.635 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.04 -32.72 74.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.41 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -19.42 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -40.43 85.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.272 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -49.33 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.174 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 31.3 t -55.73 -41.25 64.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -44.58 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.74 -44.37 73.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.07 -37.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.8 t -63.36 -47.95 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.633 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.24 -49.21 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 9.3 m -67.5 -32.54 73.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.265 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 3.0 tm? -69.28 -40.99 77.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -32.22 72.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.54 -24.93 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -77.88 -11.27 85.57 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.215 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.76 7.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.333 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 87.62 -44.29 3.25 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.459 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -116.14 128.92 56.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.924 0.393 . . . . 0.0 111.439 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.458 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 1.1 mt -145.94 155.08 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.71 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 769' ' ' GLU . 24.2 p30 -110.05 178.3 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.86 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.6 -52.24 18.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.01 -46.89 85.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.72 -46.12 63.67 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.534 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.0 tp -66.08 -41.07 91.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.644 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 8.1 ttt180 -60.24 -46.11 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.96 -45.98 85.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.058 0.456 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -31.25 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.54 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 750' ' ' HIS . 6.8 mt -77.54 -40.53 42.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.697 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.41 ' HD2' ' HG2' ' A' ' 742' ' ' ARG . 0.0 OUTLIER -63.24 -39.01 93.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.215 -179.104 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -62.53 -16.2 54.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.263 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -97.94 -13.46 21.15 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.607 0.241 . . . . 0.0 111.352 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 106.24 9.97 30.64 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.147 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.42 ' CG ' HD21 ' A' ' 745' ' ' LEU . 94.4 m-70 -75.74 132.28 40.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.818 0.342 . . . . 0.0 110.962 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.0 p -80.39 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.111 0.482 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.31 -37.71 72.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -56.85 -46.65 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -39.19 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.83 -41.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -67.25 -37.61 83.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.263 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.08 67.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 109.877 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.84 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.716 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.86 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.9 OUTLIER -65.95 -42.51 89.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.202 -179.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 43.7 p -68.03 -44.14 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.715 . . . . 0.0 109.461 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.63 -48.64 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.502 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.601 ' HD1' ' CD2' ' A' ' 762' ' ' TYR . 65.0 m-85 -85.93 -40.15 16.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 13.1 t0 -70.6 62.26 0.25 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.24 -38.59 77.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 765' ' ' ASP . 11.1 p-10 -70.96 -8.71 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.42 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.09 38.84 90.94 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.884 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.97 12.48 30.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.508 0.194 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 49.17 27.29 1.75 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 737' ' ' ASN . 5.2 tt0 -142.15 135.89 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 0.0 111.069 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 2.4 tp -117.22 133.47 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.665 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 58.2 p -125.77 -179.52 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 0.0 112.029 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.82 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.203 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.45 -51.34 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.656 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.458 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 56.7 t-80 -68.4 -35.03 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -56.8 -34.28 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.598 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -68.51 -31.43 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.458 ' CE ' ' CD2' ' A' ' 775' ' ' HIS . 4.7 ttp -57.36 -50.4 73.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -38.34 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.69 88.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -29.2 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -40.12 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -24.08 7.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.477 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -64.81 -49.6 70.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.43 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.0 OUTLIER -58.44 -33.7 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.271 0.558 . . . . 0.0 110.252 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 56.2 t -69.18 -49.84 58.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.285 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -31.24 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 43.2 m-20 -65.36 -48.68 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . 0.402 HD12 ' CE ' ' A' ' 778' ' ' MET . 9.9 mt -71.22 -38.53 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.419 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 15.8 p -58.63 -47.96 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.122 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 15.2 pt-20 -59.4 -49.12 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.53 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 44.5 t -65.49 -33.2 75.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.716 0.293 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.72 -39.58 76.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.76 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.71 -31.98 73.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.81 -33.16 73.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.176 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.77 -11.04 74.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.11 48.42 2.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.83 11.87 58.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.995 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.57 131.8 11.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 740' ' ' GLU . 0.2 OUTLIER -157.64 150.68 23.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.685 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.18 167.6 10.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.45 . . . . 0.0 111.465 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.96 -52.03 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.05 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.5 -46.63 87.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 736' ' ' LEU . 1.0 OUTLIER -70.59 -45.69 64.88 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.48 -41.39 93.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.994 0.425 . . . . 0.0 110.111 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 1.5 ttt180 -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.406 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.5 pt20 -61.98 -40.56 96.03 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -31.19 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.986 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 750' ' ' HIS . 8.4 mt -77.13 -43.82 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.88 92.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.175 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.62 -12.86 57.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.416 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -9.32 26.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.681 0.277 . . . . 0.0 111.208 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.65 5.54 27.59 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.877 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.417 ' CD2' HD21 ' A' ' 745' ' ' LEU . 96.2 m-70 -80.05 132.31 35.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.1 m -80.84 155.83 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.58 -39.91 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.18 -43.31 95.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.3 -37.98 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.067 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.17 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.273 0.558 . . . . 0.0 109.671 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.43 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 88.1 mt -58.87 -47.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.423 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.798 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.94 -41.03 91.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.143 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 36.6 p -68.45 -44.31 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.483 0.659 . . . . 0.0 110.315 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -58.14 -47.86 82.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.961 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.659 ' HE2' ' CE1' ' A' ' 762' ' ' TYR . 62.4 m-85 -86.01 -36.79 19.53 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 28.4 t0 -69.67 62.24 0.17 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.66 -40.8 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.87 -11.73 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.21 35.83 55.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.019 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -88.31 9.51 22.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.298 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.427 ' HA ' ' HD1' ' A' ' 738' ' ' PHE . 0.7 OUTLIER 56.78 27.49 12.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.319 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -145.9 132.72 20.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 111.349 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.402 ' CD1' ' OE2' ' A' ' 774' ' ' GLU . 3.3 tp -105.0 124.02 48.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 1.4 m -118.56 168.59 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.261 0.553 . . . . 0.0 112.008 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.79 -31.73 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.95 -50.34 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . 0.402 ' OE2' ' CD1' ' A' ' 770' ' ' LEU . 2.2 mt-10 -63.04 -40.51 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.661 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 778' ' ' MET . 29.3 t-80 -64.55 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -56.46 -30.54 63.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -67.08 -31.29 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 762' ' ' TYR . 0.1 OUTLIER -56.93 -54.35 47.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.03 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -44.53 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -46.89 76.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.045 0.45 . . . . 0.0 110.933 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.94 -35.07 79.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.164 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -40.98 70.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.419 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.183 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.904 0.383 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -58.73 -27.2 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.163 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.21 -28.66 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 3.1 m -70.09 -49.52 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 13.4 t -55.55 -35.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -36.88 84.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.475 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.417 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 39.0 m-20 -72.53 -44.79 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.0 -42.49 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 775' ' ' HIS . 8.4 t -63.66 -47.94 79.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.781 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -56.47 -41.78 77.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.447 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.7 m -73.43 -32.74 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -37.37 76.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.84 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -31.95 73.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -30.38 57.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.248 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -84.37 -11.14 78.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.042 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.88 41.21 2.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.731 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 64.6 5.71 18.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.841 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -153.64 133.59 13.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.495 0.647 . . . . 0.0 111.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 3.8 mp -156.69 156.24 33.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -93.85 168.62 10.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.802 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -45.06 29.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.44 -46.5 76.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 1.2 mm-40 -69.95 -45.94 66.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.422 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.0 tp -66.32 -42.66 87.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.003 0.43 . . . . 0.0 110.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.9 ttm180 -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -62.88 -39.75 95.4 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.66 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.2 m-20 -67.95 -31.3 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.902 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.428 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.0 mt -78.62 -40.84 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.328 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -39.04 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.251 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.74 62.4 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.37 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 -13.39 24.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.71 0.29 . . . . 0.0 111.208 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.51 4.29 28.61 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.428 ' CD2' HD22 ' A' ' 745' ' ' LEU . 88.0 m-70 -79.39 133.84 36.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 14.8 p -80.47 154.02 27.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -35.98 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.7 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -41.79 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.492 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.28 -39.78 83.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.809 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -67.71 -33.93 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.46 64.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.227 0.537 . . . . 0.0 109.77 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.42 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 60.8 mt -61.57 -48.11 90.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.374 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.8 m-85 -65.66 -42.95 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.265 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.2 t -68.52 -44.15 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.467 0.651 . . . . 0.0 110.021 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -58.53 -43.67 89.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.611 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.627 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 53.7 m-85 -86.12 -39.82 16.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 39.0 t0 -68.09 62.3 0.08 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.765 0.317 . . . . 0.0 111.372 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -57.59 -33.76 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.68 -12.59 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.311 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.59 42.86 78.01 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.032 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -90.76 14.14 14.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 111.278 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 56.16 21.61 5.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.584 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -146.07 142.16 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.039 0.447 . . . . 0.0 111.552 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.5 tp -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.744 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.85 171.33 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.229 0.537 . . . . 0.0 111.896 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.12 -33.23 38.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.12 -50.99 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.57 -39.69 95.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.743 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 726' ' ' SER . 60.5 t-80 -68.67 -34.82 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 39.9 tp60 -56.93 -38.57 73.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.82 -31.43 70.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.191 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.433 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 5.0 ttp -56.91 -55.46 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.894 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 1.0 OUTLIER -62.32 -37.62 86.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.401 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -45.11 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -33.03 74.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.3 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -70.91 -35.86 72.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.564 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 179.438 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.876 0.369 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -23.64 33.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.232 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -67.39 -30.33 70.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.402 ' HA ' ' OD1' ' A' ' 724' ' ' ASP . 38.0 m -66.76 -49.39 66.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 0.0 110.666 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 18.5 t -55.61 -34.81 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.45 -45.74 90.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.434 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.6 OUTLIER -71.12 -46.67 61.22 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.059 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 6.9 mt -65.23 -47.84 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 23.1 t -57.22 -46.34 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -49.1 79.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.989 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 45.4 t -65.98 -32.68 74.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -39.04 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -31.99 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -66.29 -31.15 71.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -91.87 -11.01 60.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.873 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.0 48.28 1.77 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.533 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 65.09 10.82 49.07 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.192 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 131.78 11.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.994 0.397 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.58 153.34 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.77 165.31 12.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.137 0.494 . . . . 0.0 111.602 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.807 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.86 -47.42 31.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.055 -179.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -46.62 77.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.4 -45.87 65.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 759' ' ' PHE . 5.4 tp -63.97 -45.38 89.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.351 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.7 ttp180 -59.77 -44.03 94.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.367 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.9 -42.87 85.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.232 0.539 . . . . 0.0 109.762 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.26 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.255 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 750' ' ' HIS . 5.9 mt -76.49 -43.64 38.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.522 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -38.93 93.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.3 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.7 -11.29 57.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.694 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -11.24 21.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.28 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.29 4.12 29.07 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.922 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.416 ' CD2' HD22 ' A' ' 745' ' ' LEU . 91.3 m-70 -79.09 133.39 36.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.8 p -77.85 150.48 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.86 -38.54 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.73 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.71 -40.51 95.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.7 mt -67.93 -40.39 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.31 -36.74 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.32 -50.14 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.111 0.482 . . . . 0.0 109.86 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.92 -46.71 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.807 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.65 -42.64 91.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.149 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 27.1 p -68.24 -44.34 75.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.493 0.664 . . . . 0.0 110.247 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -46.16 84.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.602 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 66.3 m-85 -85.92 -39.48 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.3 t70 -69.52 62.31 0.16 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.789 0.328 . . . . 0.0 111.308 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -64.22 -19.95 65.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.326 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -83.37 -14.0 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.07 29.46 62.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.881 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -90.13 11.09 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.298 . . . . 0.0 111.363 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.409 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 54.38 28.34 9.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.41 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -146.0 137.65 24.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 111.421 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.4 tp -108.7 127.81 54.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.508 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 44.0 p -123.81 178.42 5.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.379 0.609 . . . . 0.0 112.193 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -35.27 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.235 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -51.2 64.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.47 -40.19 96.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.414 ' CD2' ' HE2' ' A' ' 778' ' ' MET . 13.8 t-80 -66.32 -34.83 78.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 0.0 OUTLIER -56.86 -37.74 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -68.68 -31.37 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.44 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 32.7 ttm -56.98 -55.29 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.713 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER -65.57 -38.4 89.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.999 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -46.89 76.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -28.98 64.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.435 -179.502 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -59.62 -26.06 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.265 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.58 -34.27 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.168 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -49.22 61.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 18.4 t -55.72 -34.9 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.414 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.51 -39.88 89.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.409 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 30.7 m-20 -72.09 -44.55 63.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.0 mt -71.05 -37.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 12.3 t -65.95 -48.01 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.558 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -58.48 -48.88 79.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.017 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -32.68 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.78 -41.21 75.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.678 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -31.99 72.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.735 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.27 -26.58 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -78.63 -11.13 85.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.979 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.77 29.75 6.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.604 -0.807 . . . . 0.0 113.168 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 89.46 -40.78 3.03 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.324 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -127.38 147.81 50.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 111.214 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.413 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 5.5 mp -157.34 155.47 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.07 165.31 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.614 ' HD1' ' CD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.7 -44.66 27.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.579 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.52 -46.65 75.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.447 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 0.8 OUTLIER -70.3 -45.97 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.087 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.418 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.3 tp -66.0 -43.55 87.38 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.15 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.8 ttp-105 -60.74 -44.05 97.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 4.2 pt20 -63.07 -38.42 91.12 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.864 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.5 OUTLIER -69.88 -31.52 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.071 178.697 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' A' ' 750' ' ' HIS . 6.8 mt -78.69 -42.22 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.431 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -38.91 92.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.294 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.97 -11.41 54.65 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.607 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -10.93 24.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.581 0.229 . . . . 0.0 111.249 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.25 29.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.004 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.444 ' CD2' ' CD2' ' A' ' 745' ' ' LEU . 95.7 m-70 -80.45 135.04 36.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.4 p -77.98 150.51 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.58 -38.42 81.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.57 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -42.82 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.2 mt -65.33 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -36.69 84.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.06 65.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.142 0.496 . . . . 0.0 109.884 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.33 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.0 OUTLIER -65.69 -42.74 90.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.057 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 44.1 p -68.37 -44.24 75.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 109.945 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -57.48 -44.02 84.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.488 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 57.3 m-85 -86.13 -39.82 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 25.0 t0 -69.67 62.22 0.17 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.733 0.301 . . . . 0.0 111.322 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.17 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.43 -14.05 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.338 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.9 47.69 58.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.021 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.64 20.34 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.419 ' HA ' ' HD1' ' A' ' 738' ' ' PHE . 2.6 mp0 55.05 20.93 3.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.519 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -146.13 141.47 27.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.591 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.9 tp -106.46 127.22 53.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 7.0 m -110.95 160.34 16.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.155 0.502 . . . . 0.0 111.817 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -47.99 -31.55 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.07 -47.11 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -63.01 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.404 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 37.3 t-80 -66.43 -34.86 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.35 -36.17 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.679 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.27 -31.37 70.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.809 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.446 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 3.9 ttp -56.83 -46.49 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.56 -44.61 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -46.91 75.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.419 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -47.51 85.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.362 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -34.58 74.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.51 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.5 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -23.16 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.53 -43.12 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.431 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.8 OUTLIER -65.44 -34.01 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.529 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 74.8 t -71.07 -48.38 55.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.016 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -30.29 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.333 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 17.1 t0 -65.1 -48.84 72.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.595 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.21 -44.52 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.347 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.442 ' HB2' ' CE1' ' A' ' 775' ' ' HIS . 0.9 OUTLIER -56.81 -47.88 79.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.418 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -57.54 -49.22 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.646 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 42.1 m -67.11 -32.83 74.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.784 0.326 . . . . 0.0 110.774 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.57 -39.39 77.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -32.26 73.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.082 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.08 74.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -96.05 7.18 67.02 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.972 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 87.52 48.6 4.19 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.621 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 53.82 19.28 9.98 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.327 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 125.35 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.9 0.35 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 4.1 mp -157.53 159.99 37.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.057 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -100.15 170.78 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.471 . . . . 0.0 111.378 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.85 -52.02 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.816 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.16 -46.53 90.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 2.0 mt-10 -69.82 -45.87 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.434 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 3.8 tp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.003 0.43 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 3.1 tmm_? -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.763 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -59.75 -41.48 91.07 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.904 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.44 -41.87 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.678 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.37 -38.95 93.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.444 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -11.8 59.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.741 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -11.05 30.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.56 32.97 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -85.1 140.65 30.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.663 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 159.27 20.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.251 0.548 . . . . 0.0 111.395 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.91 85.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.81 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.29 -41.17 98.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 8.9 mt -66.56 -50.12 69.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.329 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.05 -34.05 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.538 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.45 -50.52 51.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 0.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 48.2 mt -59.95 -45.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.033 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.87 -41.42 91.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.154 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 27.8 p -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.137 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -57.22 -48.51 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.876 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 1.65 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 54.1 m-85 -86.07 -38.11 18.16 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 7.0 t70 -70.22 62.22 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.979 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.3 -31.85 70.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.277 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -73.26 -11.11 60.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.423 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.51 31.9 52.45 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.76 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 45.1 p30 -89.51 8.75 29.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.652 0.263 . . . . 0.0 111.262 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 55.7 29.67 14.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.352 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -146.04 132.84 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 111.391 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.62 124.91 50.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.959 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 23.6 p -121.59 173.81 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.259 0.552 . . . . 0.0 112.03 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.08 -33.12 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.94 -50.1 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.87 -39.86 95.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.446 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 26.2 t-80 -66.09 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -30.66 63.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.636 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -68.09 -31.25 70.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.539 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.446 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 1.5 mmt -56.81 -48.2 78.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.255 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.53 94.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -44.88 83.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.13 -35.75 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.366 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -35.4 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.394 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.726 -179.302 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -56.21 -31.01 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.2 -39.2 82.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -49.39 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.45 -40.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.924 0.392 . . . . 0.0 110.278 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.93 -42.5 99.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.465 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.91 -37.75 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.537 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 6.0 p -58.18 -44.66 88.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.191 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -49.21 72.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.5 m -62.55 -32.64 73.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.437 ' HA ' HD11 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.62 -37.96 77.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -31.94 67.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -40.05 95.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.29 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -78.93 -11.08 85.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.923 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.79 41.79 2.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.814 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.69 -51.46 4.56 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.195 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -102.48 141.65 34.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 111.471 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 729' ' ' LEU . 0.3 OUTLIER -157.43 148.68 21.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.528 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.01 164.64 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.642 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.841 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.82 -46.62 31.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.924 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.42 -45.9 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.437 ' CD1' HD11 ' A' ' 736' ' ' LEU . 5.6 tp -64.51 -44.11 91.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.1 0.476 . . . . 0.0 110.304 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.7 ttm180 -59.48 -44.44 93.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.02 -45.36 87.05 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.23 0.538 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -31.27 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.241 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 750' ' ' HIS . 6.6 mt -77.49 -40.8 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.528 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -39.1 93.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.67 -14.42 69.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.432 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 -13.64 29.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.684 0.278 . . . . 0.0 111.244 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 4.63 28.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.423 ' CD2' HD22 ' A' ' 745' ' ' LEU . 70.7 m-70 -81.87 135.29 35.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.23 155.86 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -37.38 77.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.42 90.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.22 -41.4 94.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.0 mt -67.78 -40.34 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.35 -34.7 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.7 -50.08 59.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 109.731 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.28 -46.89 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.841 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.7 m-85 -66.04 -42.98 88.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.454 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.89 -44.46 73.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.246 0.545 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 762' ' ' TYR . 5.0 ptpt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.947 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.462 ' CD2' ' HG3' ' A' ' 761' ' ' LYS . 49.8 m-85 -86.35 -37.9 18.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 43.9 t0 -68.66 62.27 0.1 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.176 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.34 -44.74 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.251 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.0 -13.21 61.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.3 44.87 58.36 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.011 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -95.7 20.74 9.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 50.92 25.95 2.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.484 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.99 136.04 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 111.523 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 4.0 tp -108.22 127.08 53.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.461 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 41.3 p -115.4 162.6 16.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.22 0.533 . . . . 0.0 111.861 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -29.86 4.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.955 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.0 -47.74 70.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.85 -38.96 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.446 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 778' ' ' MET . 28.0 t-80 -67.83 -34.82 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -56.74 -31.28 64.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -68.54 -31.21 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 775' ' ' HIS . 0.0 OUTLIER -56.71 -48.8 76.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.57 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -47.05 74.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.216 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.81 -43.0 94.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.209 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -36.32 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.292 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.904 179.864 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.738 0.304 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -59.17 -25.73 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.91 -25.63 66.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 721' ' ' THR . . . . . 0.456 ' HA ' ' OD2' ' A' ' 724' ' ' ASP . 56.3 m -70.82 -49.71 43.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . 0.41 ' CG2' ' HG2' ' A' ' 778' ' ' MET . 28.0 t -55.73 -35.0 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.039 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 727' ' ' GLU . 0.8 OUTLIER -61.48 -45.93 92.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.671 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.456 ' CB ' ' NE2' ' A' ' 750' ' ' HIS . 0.6 OUTLIER -67.99 -41.31 82.51 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.693 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 16.6 mm -70.86 -37.77 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.427 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 726' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 775' ' ' HIS . 36.0 t -59.65 -47.88 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.721 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 723' ' ' ASP . 1.3 mt-10 -62.14 -49.43 75.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 111.24 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 35.7 t -61.57 -35.71 78.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.381 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . 0.405 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.82 -39.11 76.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 111.13 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -67.81 -31.93 72.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.65 -31.51 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -96.08 0.73 62.44 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.226 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.04 46.9 2.75 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.385 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 55.44 17.11 11.69 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.216 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.8 125.5 7.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.813 0.307 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 4.5 mp -155.33 157.59 37.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -96.85 168.73 10.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 0.0 111.347 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 1.651 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.81 -47.48 31.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.008 -179.482 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.27 -45.75 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 1.5 mt-10 -70.61 -45.94 64.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.414 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 3.8 tp -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.037 0.446 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 39.8 ttp180 -61.79 -45.11 95.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.106 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -61.8 -39.37 91.5 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.6 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -31.16 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.97 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 750' ' ' HIS . 7.0 mt -77.48 -42.36 36.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.541 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -63.78 -9.11 31.36 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.16 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 750' ' ' HIS . 9.8 mmmm -104.5 -9.46 18.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.898 0.349 . . . . 0.0 111.442 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.02 33.44 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.456 ' NE2' ' CB ' ' A' ' 724' ' ' ASP . 99.2 m-70 -75.29 131.44 40.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.681 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.8 p -74.6 145.48 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.067 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -39.69 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.1 82.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.03 -39.58 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.0 mt -67.68 -40.58 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.84 -36.16 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.95 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 109.583 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . 0.438 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 42.5 mt -60.83 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.439 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.831 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.79 -42.99 90.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.59 -44.38 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.469 0.652 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -57.6 -44.88 85.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.599 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.422 ' CE2' ' HE1' ' A' ' 778' ' ' MET . 56.2 m-85 -86.03 -39.84 16.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 5.7 t70 -69.91 62.22 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.245 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -20.94 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -82.26 -13.96 56.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.392 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.21 30.9 61.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -91.29 12.91 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 52.46 27.62 5.15 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.453 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.07 138.29 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.975 0.417 . . . . 0.0 111.395 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.5 tp -109.97 128.09 55.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.713 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 20.0 p -121.12 174.28 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.318 0.58 . . . . 0.0 111.892 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -29.5 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.312 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -51.23 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.94 -37.39 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.563 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 726' ' ' SER . 0.5 OUTLIER -68.58 -34.57 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -47.14 80.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 778' ' ' MET . 0.0 OUTLIER -64.19 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 777' ' ' GLN . 38.8 ttm -56.93 -52.85 63.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -42.95 99.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.777 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -45.14 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.7 -35.98 77.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -35.83 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.19 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.1 tptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -20.68 55.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -71.67 -29.99 65.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 2.1 m -73.62 -49.5 25.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 20.8 t -55.73 -35.08 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.285 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -37.35 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.412 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 724' ' ' ASP . . . . . 0.428 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 48.2 m-20 -71.52 -47.59 54.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.9 -37.94 70.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.013 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 31.9 t -64.53 -47.86 77.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 727' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.7 pt-20 -59.08 -49.19 78.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.724 0.297 . . . . 0.0 111.025 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.1 m -68.08 -32.53 72.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.026 0.441 . . . . 0.0 110.33 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.6 -41.11 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.586 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -31.89 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -31.32 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.285 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 732' ' ' GLY . . . . . 0.441 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -80.84 -11.21 84.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.063 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.45 35.29 5.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.237 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 87.02 -47.01 3.62 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.434 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -111.88 133.11 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 736' ' ' LEU . . . . . 0.441 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 0.8 OUTLIER -149.85 149.28 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.761 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -93.62 166.82 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 738' ' ' PHE . . . . . 0.799 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.59 -44.39 26.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.864 -179.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.23 -46.63 73.22 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.48 -46.03 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.521 0.564 . . . . 0.0 112.521 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . 0.422 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.4 tp -65.42 -45.51 83.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.229 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 742' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.4 OUTLIER -58.76 -44.04 90.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.231 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.12 -44.53 87.79 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.152 0.501 . . . . 0.0 109.917 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.02 -31.45 72.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.26 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . 0.417 HD21 ' CG ' ' A' ' 750' ' ' HIS . 9.4 mt -77.29 -41.07 42.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.569 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -39.18 93.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.176 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.57 -13.7 61.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.526 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -93.76 -13.79 26.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 111.257 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.48 8.79 24.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.978 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 750' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 724' ' ' ASP . 91.3 m-70 -82.78 135.21 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.8 p -80.68 155.66 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -36.99 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.6 92.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.19 -42.89 83.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 755' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 6.7 mt -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -36.0 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.84 -50.15 63.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.111 0.482 . . . . 0.0 109.896 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.35 -45.81 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' PHE . . . . . 0.799 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.63 -41.55 92.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.947 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 19.4 p -68.35 -44.15 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.519 0.676 . . . . 0.0 109.971 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -44.89 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.745 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' TYR . . . . . 0.428 ' CE2' ' HE1' ' A' ' 778' ' ' MET . 64.0 m-85 -86.11 -40.08 16.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 6.5 t70 -69.63 62.26 0.17 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.834 0.349 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -20.91 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.268 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -82.21 -14.15 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.358 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.94 30.35 60.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.808 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.22 16.57 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 28.1 mm-40 50.29 29.73 3.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -145.52 135.39 23.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.074 0.464 . . . . 0.0 111.595 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -106.58 126.47 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 1.1 m -118.61 168.79 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.0 112.059 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -31.03 9.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.04 -49.47 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.84 -40.9 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -65.93 -34.83 79.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.842 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -58.52 -40.88 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -62.73 -31.38 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' MET . . . . . 0.428 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 29.4 ttm -56.93 -45.64 82.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -65.01 -44.47 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.85 -46.9 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.62 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -36.22 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -119.38 -76.36 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 -53.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.45 151.05 51.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.674 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 131.14 51.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -26.72 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -65.65 -39.97 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -49.32 76.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.79 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 16.1 t -55.37 -37.68 45.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.532 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -68.3 -45.19 73.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.99 -37.76 69.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 7.4 t -62.06 -48.0 82.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.627 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 29.6 t -63.85 -33.4 75.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.226 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -37.47 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.67 -32.02 69.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.78 -11.03 74.85 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.957 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.31 41.36 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 63.13 11.49 39.2 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.288 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.65 130.11 10.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.97 0.385 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 3.4 mp -156.88 154.74 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.788 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -96.1 167.81 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.824 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.75 -46.32 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.759 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -46.44 78.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 14.8 mt-10 -69.8 -45.94 66.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.422 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.0 tp -66.28 -41.54 89.68 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.092 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.1 ttm-85 -61.39 -45.08 95.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.3 pt20 -62.09 -41.22 97.97 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.756 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -31.22 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.963 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.2 mt -77.69 -42.71 33.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.356 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -38.91 93.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.303 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.04 -11.91 59.35 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.556 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -11.44 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 111.278 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.5 4.16 28.68 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.998 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.424 ' CD2' HD22 ' A' ' 745' ' ' LEU . 90.5 m-70 -78.08 132.18 37.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.6 p -78.63 151.87 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.53 -39.68 80.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.02 83.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.82 99.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.1 mt -66.32 -41.18 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.04 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.13 64.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.141 0.496 . . . . 0.0 109.829 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.33 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.207 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.824 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.67 -42.71 90.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.065 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 33.4 p -68.48 -44.19 75.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.56 0.695 . . . . 0.0 110.015 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -47.73 78.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.739 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 71.2 m-85 -85.94 -37.16 19.35 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.2 t70 -69.49 62.26 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.873 0.368 . . . . 0.0 111.073 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -63.07 -27.03 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.33 -11.27 59.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.399 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.54 29.94 58.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.786 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -91.02 10.6 26.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.254 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 53.45 29.81 9.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.387 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.95 135.14 24.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.389 . . . . 0.0 111.399 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.8 tp -107.29 125.81 51.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.833 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.65 171.07 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.271 0.557 . . . . 0.0 111.884 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.61 15.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.027 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -50.08 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.722 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.81 -40.36 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.65 -34.79 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -56.81 -43.82 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.697 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -60.23 -31.26 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.428 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 38.2 ttm -56.84 -53.15 61.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -63.44 -40.56 97.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.93 76.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 784' ' ' LYS . 0.9 OUTLIER -64.75 -31.37 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -35.96 70.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.617 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 787' ' ' GLU . 9.0 pt-20 -76.72 -33.55 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 781' ' ' ASP . 0.1 OUTLIER -66.75 -23.59 66.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 781' ' ' ASP . 13.3 mt-10 -97.24 -53.62 3.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.531 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.96 6.54 45.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.407 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 783' ' ' GLU . 0.1 OUTLIER -141.7 149.05 40.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.279 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.96 -2.09 2.88 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.875 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 1.8 mt -165.97 168.81 15.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.28 -81.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.02 -16.33 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.225 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.932 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 179.68 -173.54 45.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 -48.01 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.06 155.61 49.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.688 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.32 129.44 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -55.64 -25.98 42.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -61.05 -49.64 76.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.494 ' HA ' ' OD1' ' A' ' 724' ' ' ASP . 0.1 OUTLIER -58.36 -46.69 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 17.3 t -55.37 -42.75 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.4 OUTLIER -59.73 -46.3 89.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.494 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.3 OUTLIER -63.53 -41.17 98.49 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.43 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.2 mt -70.94 -37.72 69.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 10.3 p -57.65 -47.99 80.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.891 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 0.8 OUTLIER -68.29 -49.55 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.206 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -36.7 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.83 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.52 -31.95 72.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.447 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 727' ' ' GLU . 9.9 mm-40 -60.18 -37.61 80.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.94 7.09 67.25 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.154 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 89.58 48.85 3.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.39 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 52.58 22.94 12.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.024 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -153.58 125.78 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 2.8 mp -157.52 157.74 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -96.54 169.37 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.792 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.84 -47.85 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -44.97 83.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.7 -45.88 67.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 3.9 tp -67.04 -39.21 86.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 0.0 109.847 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 16.6 ttm-85 -62.15 -47.02 86.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.98 -41.83 97.17 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.63 -31.26 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 750' ' ' HIS . 8.6 mt -79.09 -38.86 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.523 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -39.23 93.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.313 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.27 -14.32 68.67 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.538 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -90.5 -13.22 35.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.408 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.71 5.83 33.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 745' ' ' LEU . 64.1 m-70 -84.17 140.02 32.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 110.674 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.06 163.25 17.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.477 . . . . 0.0 111.58 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -62.54 -34.98 78.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.39 . . . . 0.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.73 -42.2 82.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 7.4 mt -66.43 -42.8 90.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.13 -36.92 80.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 761' ' ' LYS . . . -65.81 -50.33 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.236 0.541 . . . . 0.0 110.034 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.73 -44.93 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.283 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.792 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.85 -42.81 90.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.403 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 757' ' ' ALA . 14.3 t -68.51 -44.36 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.399 0.618 . . . . 0.0 110.325 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 757' ' ' ALA . 1.2 tmtm? -56.38 -47.86 78.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.591 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.656 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 69.9 m-85 -85.92 -35.56 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 51.0 t0 -68.89 62.22 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.62 -42.2 87.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.92 -13.25 61.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.339 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.21 37.47 72.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.883 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -88.65 10.16 21.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.26 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER 56.81 28.15 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.249 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -145.97 135.5 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.8 tp -105.38 124.73 50.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.576 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 170.35 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.313 0.578 . . . . 0.0 112.08 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -48.07 -33.67 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.46 -49.13 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -41.91 99.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -63.57 -35.38 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.62 68.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -59.48 -36.36 75.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.539 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 762' ' ' TYR . 2.9 ttm -56.9 -55.01 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -44.6 84.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.425 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -46.94 77.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 784' ' ' LYS . 0.5 OUTLIER -65.06 -33.33 75.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.288 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -33.72 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.621 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -76.59 -28.95 56.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 781' ' ' ASP . 5.8 ptpt -68.57 -31.4 70.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.397 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 781' ' ' ASP . 26.5 mm-40 -79.29 -54.04 6.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.235 0.54 . . . . 0.0 110.235 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.6 82.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.045 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.0 135.71 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.95 28.31 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.69 160.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.97 -31.96 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.83 -39.43 24.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.909 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -111.66 -125.29 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.55 -59.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.77 155.85 49.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.658 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -99.2 124.89 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -26.88 60.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.7 -40.78 97.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -49.25 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.65 -40.54 60.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.89 -41.29 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.414 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 14.5 m-20 -69.54 -44.63 70.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.808 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 5.2 mt -70.88 -37.73 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 18.7 t -62.85 -45.21 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.18 78.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 18.2 m -67.28 -32.53 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.314 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.02 -40.38 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.707 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -68.53 -31.84 71.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.17 -32.44 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.376 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -79.6 -11.06 85.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.06 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.36 35.17 6.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.988 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 86.49 -47.13 3.69 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -102.38 135.26 44.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.294 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.42 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 0.4 OUTLIER -155.42 143.65 20.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.98 166.95 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.785 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -46.16 30.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.927 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.35 -46.55 76.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -70.18 -46.03 65.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.414 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.8 tp -65.35 -43.34 91.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 0.0 110.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 17.1 ttp180 -60.0 -44.74 94.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.469 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -58.26 -45.86 87.05 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.176 0.512 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -31.13 72.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 750' ' ' HIS . 6.7 mt -78.42 -43.51 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.679 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -63.33 -39.08 93.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.324 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -70.11 -8.85 62.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.594 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -10.03 25.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.581 0.229 . . . . 0.0 111.266 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 2.18 29.1 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.419 ' CD2' HD22 ' A' ' 745' ' ' LEU . 81.1 m-70 -82.98 136.85 34.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.62 156.21 25.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -60.48 -37.24 80.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.18 87.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.2 -42.48 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 6.9 mt -66.88 -39.41 83.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.993 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.31 -36.14 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.19 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 109.943 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.415 ' O ' ' HD1' ' A' ' 762' ' ' TYR . 63.0 mt -60.3 -44.75 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.188 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.785 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.4 m-85 -65.62 -42.1 91.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.918 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 15.4 p -68.27 -44.12 76.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.403 0.62 . . . . 0.0 110.206 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -57.42 -46.22 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.687 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.663 ' HE2' ' CE1' ' A' ' 762' ' ' TYR . 74.5 m-85 -86.06 -38.66 17.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -69.31 62.18 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -63.15 -29.28 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.256 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -74.53 -10.42 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.538 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 53.71 33.2 48.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.949 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -98.09 12.77 33.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 64.4 mm-40 49.84 36.52 11.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.438 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.29 126.7 14.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.96 0.41 . . . . 0.0 111.361 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 4.0 tp -106.44 124.3 49.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.814 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 71.5 p -124.38 177.87 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.354 0.597 . . . . 0.0 111.878 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -52.23 -31.84 34.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.1 -51.17 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.736 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.01 -39.26 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.34 -34.62 76.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -56.81 -42.38 79.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.653 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.47 -31.32 69.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.417 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 28.6 ttm -56.88 -49.97 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.794 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -41.94 98.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.84 -46.91 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -31.39 68.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.69 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.07 -30.62 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.25 -36.46 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.539 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 87.69 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.36 75.85 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 178.49 -36.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 5.3 mp -84.91 90.09 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.85 22.32 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.3 -35.5 80.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.778 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.885 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 150.94 -95.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.7 m 71.87 9.58 6.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.717 0.294 . . . . 0.0 111.428 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 48.3 mt 55.61 162.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.436 0.636 . . . . 0.0 111.891 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.97 112.71 9.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.39 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -31.71 61.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.91 -49.6 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.406 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.2 OUTLIER -66.85 -41.47 87.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 110.768 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.44 -47.74 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.1 OUTLIER -61.38 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.584 179.535 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -59.34 -43.39 92.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.9 mt -70.95 -37.64 68.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.52 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.4 t -55.4 -47.88 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 1.0 OUTLIER -63.0 -49.39 74.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.068 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.0 t -61.95 -34.26 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.352 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -38.91 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.65 -31.91 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.89 -36.77 72.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -77.99 -11.06 85.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.847 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 102.83 36.13 3.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.833 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.5 -52.49 4.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.958 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.48 136.88 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.341 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 1.6 mp -155.41 154.0 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -108.94 175.5 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 111.633 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.64 ' HD2' ' CD1' ' A' ' 738' ' ' PHE . 2.5 m-85 -47.61 -52.16 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.802 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -63.32 -47.09 83.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -46.23 62.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.511 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.1 tp -66.18 -42.84 88.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.997 0.427 . . . . 0.0 110.203 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.8 ttm105 -60.56 -44.76 95.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.276 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -57.96 -45.5 86.58 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.072 0.463 . . . . 0.0 110.044 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -31.26 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.616 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.419 HD21 ' CG ' ' A' ' 750' ' ' HIS . 5.8 mt -78.92 -38.79 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.803 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -63.39 -39.02 93.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.238 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -64.83 -14.12 57.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.473 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -14.06 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.525 0.203 . . . . 0.0 111.251 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.97 8.81 25.37 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.051 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.419 ' CG ' HD21 ' A' ' 745' ' ' LEU . 92.3 m-70 -78.28 132.17 37.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 8.3 p -81.02 153.0 27.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.46 -38.28 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -39.39 89.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.637 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 8.3 mt -68.09 -40.06 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -36.71 80.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.15 -50.19 64.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.226 0.536 . . . . 0.0 109.816 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.406 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 59.5 mt -61.19 -47.64 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.47 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.761 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -65.99 -42.52 89.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.473 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.8 t -68.16 -44.22 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.467 0.651 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -56.67 -48.54 77.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.646 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 68.2 m-85 -86.03 -37.37 18.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 15.7 t70 -68.11 62.22 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.17 -25.06 67.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.306 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -76.06 -11.67 59.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 62.56 27.35 69.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.843 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -97.72 15.91 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.648 0.261 . . . . 0.0 111.271 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 46.31 34.68 2.33 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.461 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.61 139.28 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.12 135.64 54.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.545 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 46.5 p -124.79 176.15 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 112.028 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.62 -41.49 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.68 -51.08 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.95 -42.71 99.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -65.83 -34.75 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.77 -31.81 65.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.433 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.433 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 30.2 ttm -56.8 -45.79 82.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -44.56 88.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -46.9 76.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.79 -41.61 82.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -36.85 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -69.94 -27.21 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.23 -28.0 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.93 -44.41 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -126.39 93.97 3.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 39.33 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -167.13 68.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 2.4 tt -132.56 92.45 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . 0.47 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 13.8 p-10 -84.67 1.08 47.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.517 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 790' ' ' ASP . 1.0 OUTLIER 32.82 69.63 0.12 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.901 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -177.7 120.6 0.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 8.3 m -61.52 147.95 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.84 153.36 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.96 133.98 51.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -58.51 -22.12 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -72.15 -30.48 65.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.407 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.58 -49.71 24.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.915 0.388 . . . . 0.0 111.003 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 21.0 t -55.64 -35.02 37.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.335 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.55 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.406 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 23.6 m-20 -66.3 -44.03 84.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.786 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 6.0 mt -70.76 -46.16 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.443 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.5 t -58.82 -37.08 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.32 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 74.9 m -68.14 -32.71 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.593 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.5 -37.49 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -32.02 73.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.16 -27.67 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -84.0 -11.11 79.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 100.18 39.01 3.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.58 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.61 5.02 28.14 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.591 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -153.71 132.05 12.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.281 0.54 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 5.0 mp -155.84 157.67 36.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.777 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -97.13 169.66 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.242 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.612 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.78 -45.51 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.779 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -46.55 72.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.467 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 1.6 mm-40 -69.72 -46.24 66.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.419 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.1 tp -65.43 -42.94 91.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.983 0.42 . . . . 0.0 110.116 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.0 OUTLIER -60.36 -43.58 96.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.698 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.519 ' HG3' ' N ' ' A' ' 744' ' ' ASP . 3.1 pt20 -62.82 -36.41 83.09 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.793 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . 0.519 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 3.3 m-20 -72.17 -31.34 65.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.024 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 750' ' ' HIS . 6.9 mt -78.09 -44.02 27.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.423 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.89 92.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.312 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.38 -11.33 59.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.563 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.26 -10.65 23.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.566 0.222 . . . . 0.0 111.253 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 3.18 29.1 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.43 ' CD2' HD22 ' A' ' 745' ' ' LEU . 92.2 m-70 -78.86 133.37 37.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.4 p -79.38 152.97 30.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.83 80.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.7 mt -67.49 -41.54 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.13 -36.58 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.954 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.0 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 109.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.407 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 88.2 mt -60.81 -46.06 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.309 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 1.658 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.3 m-85 -65.61 -42.71 91.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.142 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 30.6 p -68.46 -44.19 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.484 0.659 . . . . 0.0 110.065 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -57.79 -44.91 86.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.615 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 59.7 m-85 -86.08 -35.97 19.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 60.2 t0 -67.31 62.42 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.264 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -60.66 -41.49 95.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.049 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -71.95 -10.13 59.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.321 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.37 35.1 60.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.74 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -90.36 10.94 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.631 0.253 . . . . 0.0 111.206 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 38.8 mm-40 52.95 29.21 7.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -144.79 134.93 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 111.349 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.59 126.46 53.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.675 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 55.7 p -127.3 -179.43 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.289 0.566 . . . . 0.0 111.852 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 -38.35 56.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.37 -51.38 67.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.42 -39.16 93.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 41.3 t-80 -68.07 -34.82 77.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -59.64 -34.59 73.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -64.91 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.616 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 2.8 mtt -56.81 -47.27 80.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.68 85.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -47.06 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.37 -41.1 93.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.85 -41.03 77.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -68.48 -27.83 66.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -68.13 -31.94 71.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.586 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.13 -49.59 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -117.17 100.75 7.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -76.6 174.79 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -68.61 -40.57 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 4.4 mt 60.4 -84.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.5 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 11.8 mt 62.3 68.16 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.933 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 717' ' ' LEU . . . -109.88 39.6 2.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 717' ' ' LEU . 67.0 m 62.7 -71.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.672 0.272 . . . . 0.0 111.382 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 716' ' ' SER . 77.3 mt -171.03 157.83 5.38 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.831 0.852 . . . . 0.0 108.777 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.57 113.82 10.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.337 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.48 -34.0 47.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.575 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -65.14 -45.14 86.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.112 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.447 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 15.4 m -63.59 -49.2 74.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.106 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.35 -45.57 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.942 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -30.35 70.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.335 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -65.9 -44.72 84.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.457 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.02 -37.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.69 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 0.4 OUTLIER -58.78 -48.05 82.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.57 -48.71 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.1 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 30.1 t -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -40.08 76.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.28 -32.77 74.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.92 7.03 67.28 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.024 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.24 48.54 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.429 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 53.34 19.07 7.81 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.216 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.8 125.97 7.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 4.3 mp -156.45 160.02 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -99.38 170.0 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.92 -51.96 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.947 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.14 -46.58 86.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -68.54 -46.04 70.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.414 HD21 ' CZ ' ' A' ' 759' ' ' PHE . 4.1 tp -65.84 -39.15 90.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.012 0.434 . . . . 0.0 110.082 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.0 ttp180 -60.93 -46.84 89.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -58.05 -45.98 86.12 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.163 0.506 . . . . 0.0 109.841 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -31.06 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.325 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.0 mt -77.38 -41.44 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.527 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.11 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.151 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.41 -14.1 59.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.486 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -11.68 23.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.568 0.223 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.37 8.01 25.64 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.903 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.423 ' CD2' HD22 ' A' ' 745' ' ' LEU . 90.8 m-70 -81.41 134.31 35.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 6.5 p -84.94 159.89 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -38.17 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.67 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -46.44 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 10.0 mt -63.82 -37.92 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.64 -35.68 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.264 0.554 . . . . 0.0 109.799 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 54.1 mt -59.62 -45.86 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.32 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 1.665 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 2.0 m-85 -65.94 -41.82 90.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.102 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 36.8 p -68.46 -44.16 75.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.492 0.663 . . . . 0.0 110.18 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -46.86 86.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.788 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 58.8 m-85 -86.04 -39.96 16.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 4.7 t70 -70.15 62.23 0.21 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.327 . . . . 0.0 110.957 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -66.65 -23.62 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.8 p30 -78.28 -7.83 57.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.359 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.41 21.88 28.75 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.867 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -82.92 0.67 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 111.226 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.412 ' OE1' ' CE2' ' A' ' 738' ' ' PHE . 16.4 mm-40 58.91 30.38 20.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -141.93 128.07 19.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 111.319 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tp -100.51 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -117.41 167.39 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.314 0.578 . . . . 0.0 112.091 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -46.28 -29.84 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.61 -47.14 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -41.82 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.589 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 40.5 t-80 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -58.87 -32.25 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.36 -31.53 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.589 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 6.5 mtt -60.63 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.75 90.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -42.8 88.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.402 ' HB3' HD12 ' A' ' 717' ' ' LEU . 4.8 t0 -60.47 -45.43 93.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.253 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 717' ' ' LEU . 1.1 tt -62.11 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.56 -27.53 55.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -31.02 71.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 0.0 110.7 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.01 -40.78 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 95.14 4.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.62 50.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.982 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -134.75 -35.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -44.96 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.423 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -44.9 -65.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.503 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.83 -54.85 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.056 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.969 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -143.12 27.04 2.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.543 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.4 m -58.82 129.39 41.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.98 154.63 51.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -111.07 141.27 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -57.9 -21.61 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.22 -49.46 67.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -49.1 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.33 -45.95 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.21 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -42.18 98.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.94 0.4 . . . . 0.0 110.575 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.62 -39.36 94.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.91 -40.88 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 1.7 m -60.24 -42.57 95.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -49.22 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 34.8 m -66.39 -32.66 74.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -37.74 77.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.06 73.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -77.5 -26.92 51.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.371 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 736' ' ' LEU . . . -83.15 -11.23 81.35 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.154 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.86 37.27 4.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.172 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 85.57 -50.25 4.3 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.203 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -102.27 125.35 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.773 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.436 ' CD2' ' HA3' ' A' ' 732' ' ' GLY . 4.6 mm? -132.07 135.96 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -88.93 164.76 15.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.439 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.636 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.8 -45.37 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.559 -179.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -46.43 78.59 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 29.3 mm-40 -69.07 -45.81 69.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.428 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.7 tp -66.16 -41.48 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.007 0.432 . . . . 0.0 110.085 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.6 ttm180 -62.13 -46.99 86.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 5.6 pt20 -60.24 -40.52 90.53 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.956 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.47 -31.25 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.938 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.0 mt -77.84 -40.54 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.553 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -39.19 93.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.273 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.25 -13.44 64.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.614 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -14.61 22.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 111.333 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.54 5.91 27.48 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.936 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.436 ' CD2' HD22 ' A' ' 745' ' ' LEU . 79.7 m-70 -79.01 132.68 36.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 12.4 p -79.71 154.59 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.24 -35.82 76.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.05 -48.07 81.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 755' ' ' ILE . 6.4 pt-20 -67.26 -37.42 83.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.989 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 754' ' ' GLU . 9.2 mt -70.21 -41.01 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.617 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.91 -34.0 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.42 -50.09 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.079 0.466 . . . . 0.0 109.873 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.404 ' O ' ' HD2' ' A' ' 762' ' ' TYR . 54.5 mt -62.7 -44.97 99.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.3 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 1.672 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.5 m-85 -65.85 -42.87 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.155 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.7 t -68.68 -44.1 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.429 0.633 . . . . 0.0 110.264 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -56.29 -46.04 79.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.735 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.418 ' CE2' ' HE1' ' A' ' 778' ' ' MET . 71.1 m-85 -86.07 -36.94 19.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 52.3 t0 -67.7 62.35 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 111.35 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.27 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -85.66 -14.1 46.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.373 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.65 42.83 78.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.195 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -94.35 17.34 13.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.405 ' HA ' ' HD1' ' A' ' 738' ' ' PHE . 6.6 mp0 56.27 20.64 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.541 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -146.14 144.57 30.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.2 tp -111.66 130.87 55.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.731 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 26.5 p -112.79 162.5 15.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.262 0.553 . . . . 0.0 111.92 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.01 -30.77 11.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.043 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -68.38 -48.42 64.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.86 -41.01 99.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -68.35 -34.54 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -56.63 -34.43 67.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.5 -31.38 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.418 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 46.3 ttm -56.9 -50.43 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.5 92.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.11 -43.78 86.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -39.09 82.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.46 -45.82 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 111.019 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -73.56 -43.59 59.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -25.73 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.839 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -68.35 -43.44 77.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -75.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.85 176.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.074 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.34 -77.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 3.4 pp -93.08 131.08 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -134.69 72.88 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.0 -47.99 2.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 177.78 -78.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 33.8 m -60.24 131.96 52.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.65 153.48 51.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.677 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -104.87 129.25 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -24.29 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.076 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.21 -27.49 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.392 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.402 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.66 -49.57 25.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.034 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.11 -34.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -44.59 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.408 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.411 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 28.2 m-20 -66.16 -40.14 90.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.98 -47.74 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -47.91 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.841 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.5 pt-20 -56.25 -49.14 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.9 m -67.49 -32.83 73.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.884 0.373 . . . . 0.0 110.608 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -37.42 77.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -66.1 -31.87 73.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.88 -28.57 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.401 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -83.43 -11.14 80.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.943 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.2 5.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.016 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 83.8 -45.24 3.44 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.598 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -102.38 134.76 45.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 111.416 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.401 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 0.5 OUTLIER -156.46 145.46 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.754 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -94.31 167.11 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.315 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.804 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.6 -45.07 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.698 -179.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.42 -46.48 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.99 -45.96 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.413 HD21 ' CE1' ' A' ' 759' ' ' PHE . 4.0 tp -65.45 -43.53 90.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.248 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 25.6 ttp180 -59.35 -44.15 92.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.311 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -46.04 87.58 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -31.29 72.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.243 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.448 HD23 ' CG ' ' A' ' 750' ' ' HIS . 10.5 mt -78.1 -39.94 39.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.559 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -39.02 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.201 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.93 63.74 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.529 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -95.14 -14.07 24.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.638 0.256 . . . . 0.0 111.27 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.51 6.24 29.19 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.448 ' CG ' HD23 ' A' ' 745' ' ' LEU . 86.4 m-70 -79.63 133.92 36.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 155.24 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -58.74 -36.49 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.02 92.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.28 -41.42 85.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.0 -41.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.56 -35.98 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.159 0.504 . . . . 0.0 110.001 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 81.3 mt -60.83 -45.34 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.295 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 1.669 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.9 m-85 -65.75 -42.48 90.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.94 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 24.4 p -68.33 -44.32 75.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.31 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.8 -47.16 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.584 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.666 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 73.6 m-85 -85.99 -36.67 19.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 49.0 t0 -68.21 62.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.793 0.33 . . . . 0.0 111.315 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.65 -33.53 71.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -80.11 -13.83 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.56 39.56 75.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.007 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -90.39 12.64 17.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.61 0.243 . . . . 0.0 111.153 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.3 24.15 6.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.438 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -146.02 140.36 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.1 tp -111.8 129.68 56.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.958 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 167.12 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.178 0.513 . . . . 0.0 111.686 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -50.08 -30.54 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.51 -51.1 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.02 -37.39 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.639 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -66.89 -36.04 81.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.83 -33.63 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.45 -31.25 70.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 57.3 mtp -56.95 -54.9 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.023 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -43.69 98.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -47.09 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.59 -42.0 98.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.238 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -39.02 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.304 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -71.0 -26.4 63.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.71 -18.54 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.441 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -101.24 -37.01 8.71 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 16.4 22.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.761 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.79 24.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.294 . . . . 0.0 111.256 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.5 47.14 1.37 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.771 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 4.5 tt -145.06 143.08 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.64 78.95 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.838 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.99 93.88 1.69 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.346 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.23 -31.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.683 0.278 . . . . 0.0 111.577 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.72 143.64 50.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.14 142.95 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -28.89 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.333 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -27.04 66.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.285 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -49.67 45.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.94 -35.65 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.55 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.414 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 42.5 m-20 -66.12 -45.34 81.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.06 -37.92 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 -48.01 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.814 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -61.4 -49.3 77.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.17 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.2 m -67.27 -32.51 73.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.965 0.412 . . . . 0.0 110.392 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 3.4 tm? -69.38 -42.79 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.842 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -65.62 -31.98 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -26.45 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.609 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.427 ' HA3' HD13 ' A' ' 736' ' ' LEU . . . -81.87 -11.19 83.07 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.222 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 98.73 32.92 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 88.68 -44.44 3.15 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.533 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.69 137.51 54.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.001 0.4 . . . . 0.0 111.409 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 1.5 mt -146.31 153.69 40.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.765 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.96 166.37 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.614 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.69 -45.41 28.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.851 -179.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.61 -46.55 75.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.6 -45.96 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 759' ' ' PHE . 6.1 tp -64.75 -45.46 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.08 0.467 . . . . 0.0 110.247 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.5 OUTLIER -59.31 -44.37 92.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.368 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -57.93 -44.24 86.77 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.157 0.503 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.08 -31.19 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.267 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 750' ' ' HIS . 8.3 mt -76.96 -42.22 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.471 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -63.49 -39.02 93.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.99 -14.59 61.42 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.442 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -95.35 -12.59 25.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.609 0.243 . . . . 0.0 111.203 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 7.83 25.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.965 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.429 ' CG ' HD21 ' A' ' 745' ' ' LEU . 90.7 m-70 -81.83 134.3 35.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 71.7 p -82.76 158.01 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -59.47 -36.71 76.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -43.11 97.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.8 mt -66.25 -41.07 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.242 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.49 -34.19 77.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.02 63.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 109.759 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.16 -47.12 94.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.342 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 1.647 ' HE1' ' CE2' ' A' ' 759' ' ' PHE . 0.8 OUTLIER -65.87 -43.03 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.381 -179.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.7 t -68.71 -44.31 74.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.468 0.652 . . . . 0.0 110.089 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -57.45 -43.89 84.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.457 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 44.9 m-85 -86.19 -39.97 16.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 7.5 t70 -69.4 62.29 0.15 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 111.361 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -24.25 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -79.01 -11.2 60.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.406 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.75 29.43 58.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.884 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -94.46 17.25 13.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 46.92 28.74 0.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -140.37 131.53 26.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 111.427 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -103.4 122.73 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.512 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -116.99 168.86 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.258 0.551 . . . . 0.0 111.967 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -48.38 -29.47 4.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.98 -49.84 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.87 -39.79 95.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.573 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 58.7 t-80 -68.11 -34.83 77.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.65 -35.05 76.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -64.8 -31.81 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.573 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 9.0 mtt -58.03 -47.71 82.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -44.59 95.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -46.84 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 784' ' ' LYS . 0.3 OUTLIER -60.12 -29.16 68.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.871 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -34.53 71.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.12 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.63 -43.82 36.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.594 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 781' ' ' ASP . 0.0 OUTLIER -59.74 -31.77 69.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.89 0.376 . . . . 0.0 110.462 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -70.0 -36.77 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 0.0 110.042 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -136.49 106.05 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -117.16 128.54 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.136 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.55 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.812 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.95 71.88 1.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.785 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.71 -69.23 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 46.1 mt -150.14 87.57 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 67.36 -95.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.565 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.02 162.16 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.71 151.56 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -123.06 153.09 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.44 -19.52 56.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -67.64 -42.5 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -49.4 65.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 50.1 t -55.81 -40.87 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -44.03 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.571 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.409 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 24.4 m-20 -64.78 -40.77 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.762 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.09 -45.82 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 775' ' ' HIS . 15.1 m -55.33 -48.03 74.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.747 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -59.79 -49.05 79.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.519 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 75.2 m -66.52 -32.82 74.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.61 -37.36 76.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 110.882 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.49 -31.96 73.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -34.06 60.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.401 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -77.9 -11.17 85.66 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.127 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.17 35.37 4.79 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.994 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 81.75 -53.54 4.72 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.399 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.41 130.3 49.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 111.354 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 1.4 mt -147.32 151.05 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -94.77 167.6 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.303 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.791 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.68 -45.85 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.909 -179.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.32 -46.55 76.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.09 -45.94 65.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.426 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.5 tp -65.03 -44.25 89.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.027 0.442 . . . . 0.0 110.255 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 10.6 ttp180 -59.72 -44.79 93.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.438 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -57.97 -45.33 86.89 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.232 0.539 . . . . 0.0 109.862 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -31.29 72.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.174 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 750' ' ' HIS . 7.0 mt -76.89 -40.97 45.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.488 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -39.06 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.224 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.34 -13.02 59.69 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.769 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -12.69 22.62 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.81 -0.23 . . . . 0.0 111.381 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.73 7.38 27.67 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.97 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.42 ' CG ' HD21 ' A' ' 745' ' ' LEU . 90.5 m-70 -80.33 133.74 35.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.9 p -80.94 155.33 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.11 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -36.29 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.26 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -67.04 -41.99 85.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 9.0 mt -67.59 -40.86 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.91 -35.38 78.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.94 -50.21 63.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.129 0.49 . . . . 0.0 109.935 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.91 -45.48 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.179 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.791 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.6 m-85 -65.69 -42.53 91.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.021 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 38.7 p -68.23 -44.17 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.449 0.642 . . . . 0.0 110.187 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -57.65 -46.95 83.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.8 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 68.5 m-85 -85.98 -38.73 17.63 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -68.62 62.21 0.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.688 0.28 . . . . 0.0 111.348 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.55 -19.94 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.1 -12.94 57.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.457 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.55 24.1 55.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.765 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 48.3 p30 -83.69 1.77 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 0.0 111.406 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 61.16 26.96 16.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -146.11 140.92 27.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 111.141 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 2.8 tp -110.63 129.12 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.73 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 1.4 m -118.47 167.81 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 111.95 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -49.45 -32.15 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -66.49 -49.6 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -41.26 99.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.426 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 66.0 t-80 -64.14 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.727 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.0 66.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 21.2 mtt -56.77 -44.22 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -44.49 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.312 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.1 -46.94 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -42.68 96.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -34.93 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.52 -27.13 55.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.46 -30.9 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.07 -44.59 21.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.583 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -121.27 100.14 6.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -93.63 106.13 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.07 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.43 135.19 38.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -94.15 60.91 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 12.6 mt 57.74 66.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.83 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.112 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.08 -96.29 2.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 18.8 m 62.75 -171.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.758 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.23 152.39 50.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -105.61 130.18 53.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -22.52 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.6 -41.1 80.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -49.5 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.403 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . 0.402 ' HA ' HD11 ' A' ' 725' ' ' ILE . 22.0 t -55.4 -38.74 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.119 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -35.38 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.888 0.375 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -68.65 -44.05 74.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' A' ' 722' ' ' VAL . 3.4 mt -70.97 -37.86 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.749 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.452 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.2 t -62.0 -47.85 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.634 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.22 -46.58 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.192 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 32.4 m -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -37.4 76.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.28 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.96 -30.14 66.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -94.87 6.99 70.12 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.07 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.5 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 56.98 16.34 17.71 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.312 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.65 125.46 7.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.998 0.399 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 740' ' ' GLU . 0.4 OUTLIER -153.11 158.01 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.39 168.19 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 111.601 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.835 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -46.17 30.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.044 -179.597 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.55 -46.6 72.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.402 ' HB3' ' CD2' ' A' ' 736' ' ' LEU . 0.7 OUTLIER -69.92 -45.96 66.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.418 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.8 tp -64.76 -45.23 87.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.059 0.457 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -58.92 -43.43 91.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.184 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.86 -45.29 86.54 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.224 0.535 . . . . 0.0 109.811 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.04 -31.32 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.143 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.7 mt -75.52 -44.78 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -63.41 -38.9 92.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -12.83 61.65 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 -11.54 22.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.601 0.239 . . . . 0.0 111.238 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.63 3.24 28.83 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.92 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.429 ' CD2' HD22 ' A' ' 745' ' ' LEU . 88.2 m-70 -77.09 130.93 38.05 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.825 0.312 . . . . 0.0 110.811 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.21 151.63 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -57.43 -39.7 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.262 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.28 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.363 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -39.68 94.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.6 mt -67.63 -43.35 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.07 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.245 0.545 . . . . 0.0 109.87 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.417 ' CG2' ' CE ' ' A' ' 778' ' ' MET . 56.2 mt -61.92 -46.43 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.367 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 1.668 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.2 m-85 -65.83 -43.06 89.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.303 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.0 t -68.68 -44.27 74.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.526 0.679 . . . . 0.0 110.179 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -55.74 -48.55 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.792 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 69.7 m-85 -85.97 -35.39 20.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 10.6 t70 -68.87 62.24 0.11 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -65.63 -21.0 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.253 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -80.51 -12.75 59.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.33 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.76 25.66 56.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.693 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -90.97 10.88 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.695 0.283 . . . . 0.0 111.24 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 51.09 34.0 10.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.335 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -145.72 133.92 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.6 125.12 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.528 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 34.9 p -119.55 171.02 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 0.0 111.924 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.34 -34.51 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -48.33 73.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.86 -41.26 99.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 726' ' ' SER . 39.2 t-80 -63.22 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.782 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -68.56 -31.47 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.601 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 13.0 mtp -63.01 -55.16 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -65.65 -41.56 92.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.376 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -46.98 79.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.635 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.04 -32.72 74.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.41 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -26.09 64.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -35.39 79.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.7 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -66.49 -42.5 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -119.97 109.12 15.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.736 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.79 138.55 33.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.975 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.5 46.09 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.85 94.45 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.57 67.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 17.9 mt -110.08 -27.9 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.1 -43.0 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' SER . . . . . 0.667 ' O ' ' HB2' ' A' ' 717' ' ' LEU . 0.5 OUTLIER 70.6 -63.57 0.4 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.555 0.217 . . . . 0.0 110.842 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . 0.667 ' HB2' ' O ' ' A' ' 716' ' ' SER . 5.0 mp 90.04 175.47 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -118.3 147.13 43.77 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -19.42 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -40.43 85.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.272 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -49.33 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.174 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 31.3 t -55.73 -41.25 64.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -44.58 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -68.74 -44.37 73.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.07 -37.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.8 t -63.36 -47.95 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.633 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.24 -49.21 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 9.3 m -67.5 -32.54 73.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.265 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 3.0 tm? -69.28 -40.99 77.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -32.22 72.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.54 -24.93 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -77.88 -11.27 85.57 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.215 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.76 7.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.333 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 87.62 -44.29 3.25 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.459 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -116.14 128.92 56.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.924 0.393 . . . . 0.0 111.439 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.458 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 1.1 mt -145.94 155.08 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.71 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 769' ' ' GLU . 24.2 p30 -110.05 178.3 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.86 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.6 -52.24 18.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.01 -46.89 85.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.72 -46.12 63.67 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.534 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.0 tp -66.08 -41.07 91.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.644 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 8.1 ttt180 -60.24 -46.11 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.96 -45.98 85.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.058 0.456 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -31.25 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.54 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 750' ' ' HIS . 6.8 mt -77.54 -40.53 42.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.697 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.41 ' HD2' ' HG2' ' A' ' 742' ' ' ARG . 0.0 OUTLIER -63.24 -39.01 93.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.215 -179.104 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -62.53 -16.2 54.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.263 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -97.94 -13.46 21.15 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.607 0.241 . . . . 0.0 111.352 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 106.24 9.97 30.64 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.147 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.42 ' CG ' HD21 ' A' ' 745' ' ' LEU . 94.4 m-70 -75.74 132.28 40.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.818 0.342 . . . . 0.0 110.962 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.0 p -80.39 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.111 0.482 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -57.31 -37.71 72.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -56.85 -46.65 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -39.19 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 8.3 mt -66.83 -41.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -67.25 -37.61 83.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.263 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.08 67.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 109.877 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.84 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.716 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.86 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.9 OUTLIER -65.95 -42.51 89.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.202 -179.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 43.7 p -68.03 -44.14 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.715 . . . . 0.0 109.461 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.63 -48.64 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.502 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.601 ' HD1' ' CD2' ' A' ' 762' ' ' TYR . 65.0 m-85 -85.93 -40.15 16.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 13.1 t0 -70.6 62.26 0.25 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.24 -38.59 77.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 765' ' ' ASP . 11.1 p-10 -70.96 -8.71 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.42 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.09 38.84 90.94 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.884 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.97 12.48 30.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.508 0.194 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 49.17 27.29 1.75 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 737' ' ' ASN . 5.2 tt0 -142.15 135.89 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 0.0 111.069 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 2.4 tp -117.22 133.47 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.665 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 58.2 p -125.77 -179.52 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 0.0 112.029 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.82 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.203 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.45 -51.34 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.656 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.458 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 56.7 t-80 -68.4 -35.03 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -56.8 -34.28 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.598 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -68.51 -31.43 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.458 ' CE ' ' CD2' ' A' ' 775' ' ' HIS . 4.7 ttp -57.36 -50.4 73.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -38.34 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.69 88.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -29.2 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.416 HD23 ' HB2' ' A' ' 717' ' ' LEU . 0.0 OUTLIER -70.5 -40.12 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.87 -25.25 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -66.79 -30.52 70.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.15 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 716' ' ' SER . 7.4 tp10 -72.35 -53.13 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.49 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 92.86 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 33.91 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -144.64 -38.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.55 97.03 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.499 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.44 -45.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -67.82 0.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -94.79 78.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 50.2 m 61.43 -175.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.75 151.63 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -110.36 143.66 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -24.08 7.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.477 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -64.81 -49.6 70.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.43 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.0 OUTLIER -58.44 -33.7 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.271 0.558 . . . . 0.0 110.252 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 56.2 t -69.18 -49.84 58.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.285 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -31.24 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 43.2 m-20 -65.36 -48.68 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.402 HD12 ' CE ' ' A' ' 778' ' ' MET . 9.9 mt -71.22 -38.53 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.419 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 15.8 p -58.63 -47.96 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.122 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 15.2 pt-20 -59.4 -49.12 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.53 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 44.5 t -65.49 -33.2 75.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.716 0.293 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.72 -39.58 76.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.76 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.71 -31.98 73.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.81 -33.16 73.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.176 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.77 -11.04 74.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.11 48.42 2.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.83 11.87 58.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.995 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.57 131.8 11.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 740' ' ' GLU . 0.2 OUTLIER -157.64 150.68 23.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.685 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.18 167.6 10.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.45 . . . . 0.0 111.465 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.96 -52.03 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.05 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.5 -46.63 87.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 736' ' ' LEU . 1.0 OUTLIER -70.59 -45.69 64.88 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.48 -41.39 93.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.994 0.425 . . . . 0.0 110.111 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 1.5 ttt180 -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.406 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.5 pt20 -61.98 -40.56 96.03 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -31.19 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.986 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 750' ' ' HIS . 8.4 mt -77.13 -43.82 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.88 92.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.175 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.62 -12.86 57.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.416 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -9.32 26.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.681 0.277 . . . . 0.0 111.208 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.65 5.54 27.59 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.877 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.417 ' CD2' HD21 ' A' ' 745' ' ' LEU . 96.2 m-70 -80.05 132.31 35.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.1 m -80.84 155.83 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.58 -39.91 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.18 -43.31 95.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.3 -37.98 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.067 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.17 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.273 0.558 . . . . 0.0 109.671 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.43 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 88.1 mt -58.87 -47.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.423 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.798 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.94 -41.03 91.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.143 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 36.6 p -68.45 -44.31 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.483 0.659 . . . . 0.0 110.315 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -58.14 -47.86 82.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.961 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.659 ' HE2' ' CE1' ' A' ' 762' ' ' TYR . 62.4 m-85 -86.01 -36.79 19.53 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 28.4 t0 -69.67 62.24 0.17 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.66 -40.8 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.87 -11.73 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.21 35.83 55.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.019 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -88.31 9.51 22.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.298 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.427 ' HA ' ' HD1' ' A' ' 738' ' ' PHE . 0.7 OUTLIER 56.78 27.49 12.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.319 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -145.9 132.72 20.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 111.349 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.402 ' CD1' ' OE2' ' A' ' 774' ' ' GLU . 3.3 tp -105.0 124.02 48.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 1.4 m -118.56 168.59 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.261 0.553 . . . . 0.0 112.008 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.79 -31.73 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.95 -50.34 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . 0.402 ' OE2' ' CD1' ' A' ' 770' ' ' LEU . 2.2 mt-10 -63.04 -40.51 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.661 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 778' ' ' MET . 29.3 t-80 -64.55 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -56.46 -30.54 63.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -67.08 -31.29 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 762' ' ' TYR . 0.1 OUTLIER -56.93 -54.35 47.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.03 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -44.53 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -46.89 76.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.045 0.45 . . . . 0.0 110.933 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.46 ' HA ' ' HG2' ' A' ' 784' ' ' LYS . 2.4 m-20 -63.94 -35.07 79.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.164 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -40.98 70.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.419 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.27 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 781' ' ' ASP . 0.0 OUTLIER -75.68 -31.08 59.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.515 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.75 -34.24 77.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -80.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.115 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 75.0 96.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.1 42.02 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.9 100.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.05 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -65.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.023 0.439 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -176.89 35.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.418 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' SER . . . . . 0.655 ' O ' ' HB2' ' A' ' 717' ' ' LEU . 67.0 m -70.2 -80.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.376 0.132 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . 0.655 ' HB2' ' O ' ' A' ' 716' ' ' SER . 5.8 mp 85.41 172.41 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.595 0.559 . . . . 0.0 110.889 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.92 134.49 46.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 111.225 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -58.73 -27.2 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.163 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.21 -28.66 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 3.1 m -70.09 -49.52 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 13.4 t -55.55 -35.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -36.88 84.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.475 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.417 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 39.0 m-20 -72.53 -44.79 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.0 -42.49 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 775' ' ' HIS . 8.4 t -63.66 -47.94 79.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.781 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -56.47 -41.78 77.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.447 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.7 m -73.43 -32.74 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 110.445 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -37.37 76.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.84 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -31.95 73.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -30.38 57.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.248 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -84.37 -11.14 78.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.042 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.88 41.21 2.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.731 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 64.6 5.71 18.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.841 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -153.64 133.59 13.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.495 0.647 . . . . 0.0 111.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 3.8 mp -156.69 156.24 33.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -93.85 168.62 10.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.802 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -45.06 29.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.44 -46.5 76.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 1.2 mm-40 -69.95 -45.94 66.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.422 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.0 tp -66.32 -42.66 87.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.003 0.43 . . . . 0.0 110.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.9 ttm180 -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -62.88 -39.75 95.4 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.66 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.2 m-20 -67.95 -31.3 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.902 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.428 HD22 ' CD2' ' A' ' 750' ' ' HIS . 7.0 mt -78.62 -40.84 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.328 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -39.04 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.251 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.74 62.4 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.37 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 -13.39 24.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.71 0.29 . . . . 0.0 111.208 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.51 4.29 28.61 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.428 ' CD2' HD22 ' A' ' 745' ' ' LEU . 88.0 m-70 -79.39 133.84 36.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 14.8 p -80.47 154.02 27.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -35.98 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.7 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -41.79 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.492 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.28 -39.78 83.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.809 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -67.71 -33.93 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.46 64.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.227 0.537 . . . . 0.0 109.77 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.42 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 60.8 mt -61.57 -48.11 90.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.374 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 759' ' ' PHE . 1.8 m-85 -65.66 -42.95 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.265 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.2 t -68.52 -44.15 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.467 0.651 . . . . 0.0 110.021 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -58.53 -43.67 89.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.611 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.627 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 53.7 m-85 -86.12 -39.82 16.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 39.0 t0 -68.09 62.3 0.08 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.765 0.317 . . . . 0.0 111.372 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -57.59 -33.76 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.68 -12.59 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.311 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.59 42.86 78.01 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.032 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -90.76 14.14 14.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 111.278 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 56.16 21.61 5.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.584 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -146.07 142.16 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.039 0.447 . . . . 0.0 111.552 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.5 tp -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.744 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -119.85 171.33 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.229 0.537 . . . . 0.0 111.896 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.12 -33.23 38.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.064 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.12 -50.99 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -63.57 -39.69 95.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.743 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 726' ' ' SER . 60.5 t-80 -68.67 -34.82 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 39.9 tp60 -56.93 -38.57 73.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.82 -31.43 70.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.191 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.433 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 5.0 ttp -56.91 -55.46 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.894 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 1.0 OUTLIER -62.32 -37.62 86.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.401 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -45.11 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -33.03 74.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.3 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -70.91 -35.86 72.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.564 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 787' ' ' GLU . 11.4 pt-20 -76.83 -31.04 56.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -19.6 43.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.17 -33.57 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.92 13.91 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 783' ' ' GLU . 0.8 OUTLIER -150.35 24.04 0.81 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.335 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -114.19 58.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.41 . . . . 0.0 110.969 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.93 -69.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.07 -59.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 87.6 mt -152.8 67.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.97 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -163.46 -82.2 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 139.32 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.44 154.5 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.622 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.61 139.65 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -23.64 33.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.232 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -67.39 -30.33 70.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.402 ' HA ' ' OD1' ' A' ' 724' ' ' ASP . 38.0 m -66.76 -49.39 66.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 0.0 110.666 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 18.5 t -55.61 -34.81 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.45 -45.74 90.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.434 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.6 OUTLIER -71.12 -46.67 61.22 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.059 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 6.9 mt -65.23 -47.84 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 23.1 t -57.22 -46.34 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -49.1 79.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.989 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 45.4 t -65.98 -32.68 74.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -39.04 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -31.99 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -66.29 -31.15 71.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -91.87 -11.01 60.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.873 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.0 48.28 1.77 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.533 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 65.09 10.82 49.07 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.192 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 131.78 11.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.994 0.397 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.58 153.34 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.77 165.31 12.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.137 0.494 . . . . 0.0 111.602 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.807 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.86 -47.42 31.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.055 -179.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -46.62 77.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.4 -45.87 65.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 759' ' ' PHE . 5.4 tp -63.97 -45.38 89.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.351 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.7 ttp180 -59.77 -44.03 94.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.367 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.9 -42.87 85.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.232 0.539 . . . . 0.0 109.762 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.26 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.255 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 750' ' ' HIS . 5.9 mt -76.49 -43.64 38.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.522 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -38.93 93.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.3 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.7 -11.29 57.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.694 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -11.24 21.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.28 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.29 4.12 29.07 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.922 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.416 ' CD2' HD22 ' A' ' 745' ' ' LEU . 91.3 m-70 -79.09 133.39 36.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.8 p -77.85 150.48 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.86 -38.54 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.73 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.71 -40.51 95.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.7 mt -67.93 -40.39 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.31 -36.74 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.32 -50.14 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.111 0.482 . . . . 0.0 109.86 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.92 -46.71 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.807 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.65 -42.64 91.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.149 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 27.1 p -68.24 -44.34 75.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.493 0.664 . . . . 0.0 110.247 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -46.16 84.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.602 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 66.3 m-85 -85.92 -39.48 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.3 t70 -69.52 62.31 0.16 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.789 0.328 . . . . 0.0 111.308 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -64.22 -19.95 65.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.326 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -83.37 -14.0 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.07 29.46 62.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.881 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -90.13 11.09 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.298 . . . . 0.0 111.363 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.409 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 54.38 28.34 9.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.41 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -146.0 137.65 24.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 111.421 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.4 tp -108.7 127.81 54.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.508 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 44.0 p -123.81 178.42 5.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.379 0.609 . . . . 0.0 112.193 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -35.27 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.235 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -51.2 64.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.47 -40.19 96.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.414 ' CD2' ' HE2' ' A' ' 778' ' ' MET . 13.8 t-80 -66.32 -34.83 78.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 0.0 OUTLIER -56.86 -37.74 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -68.68 -31.37 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.44 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 32.7 ttm -56.98 -55.29 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.713 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER -65.57 -38.4 89.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.999 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -46.89 76.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -28.98 64.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.48 -43.64 48.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.435 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -30.93 65.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.989 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.75 24.37 13.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 788' ' ' ASP . 1.2 tt0 46.08 42.46 9.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.457 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 787' ' ' GLU . 0.4 OUTLIER 80.89 -48.27 0.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.1 -177.01 2.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.85 46.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -39.02 8.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.339 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 124.98 121.17 2.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 39.2 m -74.51 -84.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.54 0.21 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -33.37 149.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.0 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -131.2 160.14 35.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -59.62 -26.06 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.265 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.58 -34.27 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.168 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -49.22 61.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 111.035 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 18.4 t -55.72 -34.9 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.414 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.51 -39.88 89.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.409 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 30.7 m-20 -72.09 -44.55 63.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.0 mt -71.05 -37.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 12.3 t -65.95 -48.01 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.558 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -58.48 -48.88 79.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.017 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -32.68 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.78 -41.21 75.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.678 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -31.99 72.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.735 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.27 -26.58 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -78.63 -11.13 85.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.979 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.77 29.75 6.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.604 -0.807 . . . . 0.0 113.168 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 89.46 -40.78 3.03 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.324 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -127.38 147.81 50.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 111.214 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.413 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 5.5 mp -157.34 155.47 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.07 165.31 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.614 ' HD1' ' CD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.7 -44.66 27.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.579 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.52 -46.65 75.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.447 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 0.8 OUTLIER -70.3 -45.97 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.087 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.418 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.3 tp -66.0 -43.55 87.38 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.15 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.8 ttp-105 -60.74 -44.05 97.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 4.2 pt20 -63.07 -38.42 91.12 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.864 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.5 OUTLIER -69.88 -31.52 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.071 178.697 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' A' ' 750' ' ' HIS . 6.8 mt -78.69 -42.22 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.431 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -38.91 92.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.294 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.97 -11.41 54.65 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.607 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -10.93 24.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.581 0.229 . . . . 0.0 111.249 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.25 29.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.004 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.444 ' CD2' ' CD2' ' A' ' 745' ' ' LEU . 95.7 m-70 -80.45 135.04 36.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.4 p -77.98 150.51 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.58 -38.42 81.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.57 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -42.82 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.2 mt -65.33 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.8 -36.69 84.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.06 65.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.142 0.496 . . . . 0.0 109.884 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.33 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.0 OUTLIER -65.69 -42.74 90.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.057 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 44.1 p -68.37 -44.24 75.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 109.945 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -57.48 -44.02 84.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.488 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 57.3 m-85 -86.13 -39.82 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 25.0 t0 -69.67 62.22 0.17 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.733 0.301 . . . . 0.0 111.322 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.17 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.43 -14.05 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.338 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.9 47.69 58.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.021 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.64 20.34 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.419 ' HA ' ' HD1' ' A' ' 738' ' ' PHE . 2.6 mp0 55.05 20.93 3.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.519 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -146.13 141.47 27.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.591 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.9 tp -106.46 127.22 53.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.643 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 7.0 m -110.95 160.34 16.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.155 0.502 . . . . 0.0 111.817 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -47.99 -31.55 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.07 -47.11 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -63.01 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.404 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 37.3 t-80 -66.43 -34.86 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.35 -36.17 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.679 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.27 -31.37 70.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.809 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.446 ' HA ' ' CE1' ' A' ' 762' ' ' TYR . 3.9 ttp -56.83 -46.49 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.56 -44.61 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -46.91 75.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.419 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -47.51 85.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.362 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -34.58 74.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.51 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.58 -25.65 60.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.52 62.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.49 -53.35 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.29 99.45 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.058 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -115.07 103.97 11.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.52 41.08 3.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 8.0 tt -77.93 119.34 21.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -38.17 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 12.9 mt -147.47 -87.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 153.29 88.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.4 m -58.49 157.9 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.61 150.76 51.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -115.35 152.47 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -23.16 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.53 -43.12 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.431 ' CG2' ' CD1' ' A' ' 758' ' ' ILE . 0.8 OUTLIER -65.44 -34.01 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.529 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 74.8 t -71.07 -48.38 55.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.016 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -30.29 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.333 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 17.1 t0 -65.1 -48.84 72.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.595 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.21 -44.52 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.347 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.442 ' HB2' ' CE1' ' A' ' 775' ' ' HIS . 0.9 OUTLIER -56.81 -47.88 79.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.418 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -57.54 -49.22 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.646 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 42.1 m -67.11 -32.83 74.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.784 0.326 . . . . 0.0 110.774 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.415 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.57 -39.39 77.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -32.26 73.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.082 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.08 74.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -96.05 7.18 67.02 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.972 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 87.52 48.6 4.19 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.621 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 53.82 19.28 9.98 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.327 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.61 125.35 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.9 0.35 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 4.1 mp -157.53 159.99 37.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.057 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -100.15 170.78 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.471 . . . . 0.0 111.378 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.85 -52.02 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.816 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.16 -46.53 90.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 2.0 mt-10 -69.82 -45.87 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.434 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 3.8 tp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.003 0.43 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 3.1 tmm_? -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.763 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -59.75 -41.48 91.07 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.904 178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.44 -41.87 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.678 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.37 -38.95 93.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.444 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -11.8 59.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.741 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -11.05 30.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.56 32.97 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -85.1 140.65 30.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.663 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 159.27 20.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.251 0.548 . . . . 0.0 111.395 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.91 85.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.81 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.29 -41.17 98.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . . . . . . . . . 8.9 mt -66.56 -50.12 69.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.329 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.05 -34.05 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.538 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.45 -50.52 51.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 0.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 48.2 mt -59.95 -45.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.033 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.87 -41.42 91.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.154 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 27.8 p -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.137 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -57.22 -48.51 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.876 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 1.65 ' HD2' ' CD1' ' A' ' 762' ' ' TYR . 54.1 m-85 -86.07 -38.11 18.16 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 7.0 t70 -70.22 62.22 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.979 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.3 -31.85 70.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.277 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -73.26 -11.11 60.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.423 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.51 31.9 52.45 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.76 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 45.1 p30 -89.51 8.75 29.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.652 0.263 . . . . 0.0 111.262 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 55.7 29.67 14.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.352 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -146.04 132.84 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 111.391 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -105.62 124.91 50.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.959 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 23.6 p -121.59 173.81 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.259 0.552 . . . . 0.0 112.03 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.08 -33.12 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.94 -50.1 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.87 -39.86 95.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.446 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 26.2 t-80 -66.09 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -30.66 63.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.636 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -68.09 -31.25 70.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.539 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.446 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 1.5 mmt -56.81 -48.2 78.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.255 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.53 94.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -44.88 83.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.13 -35.75 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.366 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -35.4 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.394 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.57 -27.76 62.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.726 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 785' ' ' GLU . 0.0 OUTLIER -71.27 -30.38 66.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.764 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 784' ' ' LYS . 2.6 tt0 -78.0 -41.26 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.545 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.74 104.11 9.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.6 93.17 6.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 78.11 -56.57 0.48 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.071 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.18 92.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.95 -44.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 176.96 -60.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.993 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.47 131.33 6.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.5 m 71.59 10.96 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.675 0.274 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 68.0 mt 56.09 163.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.451 0.643 . . . . 0.0 111.816 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 109.78 7.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.259 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -56.21 -31.01 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.2 -39.2 82.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -49.39 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.45 -40.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.924 0.392 . . . . 0.0 110.278 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.93 -42.5 99.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.465 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.91 -37.75 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.537 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 6.0 p -58.18 -44.66 88.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.191 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -49.21 72.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.5 m -62.55 -32.64 73.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.437 ' HA ' HD11 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.62 -37.96 77.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -31.94 67.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -40.05 95.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.29 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -78.93 -11.08 85.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.923 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.79 41.79 2.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.814 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.69 -51.46 4.56 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.195 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -102.48 141.65 34.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 111.471 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 729' ' ' LEU . 0.3 OUTLIER -157.43 148.68 21.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.528 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.01 164.64 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.642 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.841 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.82 -46.62 31.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.924 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.42 -45.9 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.437 ' CD1' HD11 ' A' ' 736' ' ' LEU . 5.6 tp -64.51 -44.11 91.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.1 0.476 . . . . 0.0 110.304 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.7 ttm180 -59.48 -44.44 93.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.02 -45.36 87.05 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.23 0.538 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -31.27 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.241 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 750' ' ' HIS . 6.6 mt -77.49 -40.8 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.528 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -39.1 93.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.67 -14.42 69.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.432 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 -13.64 29.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.684 0.278 . . . . 0.0 111.244 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 4.63 28.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.423 ' CD2' HD22 ' A' ' 745' ' ' LEU . 70.7 m-70 -81.87 135.29 35.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.23 155.86 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -37.38 77.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.42 90.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.22 -41.4 94.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 7.0 mt -67.78 -40.34 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.35 -34.7 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.7 -50.08 59.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 109.731 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.28 -46.89 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.391 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.841 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.7 m-85 -66.04 -42.98 88.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.454 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.89 -44.46 73.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.246 0.545 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 762' ' ' TYR . 5.0 ptpt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.947 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.462 ' CD2' ' HG3' ' A' ' 761' ' ' LYS . 49.8 m-85 -86.35 -37.9 18.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 43.9 t0 -68.66 62.27 0.1 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.176 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.34 -44.74 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.251 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.0 -13.21 61.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.3 44.87 58.36 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.011 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -95.7 20.74 9.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 50.92 25.95 2.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.484 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.99 136.04 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 111.523 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 4.0 tp -108.22 127.08 53.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.461 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 41.3 p -115.4 162.6 16.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.22 0.533 . . . . 0.0 111.861 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -29.86 4.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.955 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.0 -47.74 70.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.85 -38.96 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.446 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 778' ' ' MET . 28.0 t-80 -67.83 -34.82 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -56.74 -31.28 64.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -68.54 -31.21 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 775' ' ' HIS . 0.0 OUTLIER -56.71 -48.8 76.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.57 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -47.05 74.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.216 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.81 -43.0 94.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.209 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -36.32 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.292 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.67 -29.56 56.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.904 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -65.27 -34.4 78.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -76.68 -42.58 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.768 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -124.37 98.45 5.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.65 154.92 22.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -156.18 54.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 22.2 mt 59.16 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -154.16 81.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -56.69 18.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -137.13 10.32 3.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.923 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.86 -58.2 2.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.763 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.6 152.78 49.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.694 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.44 127.85 47.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -59.17 -25.73 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.91 -25.63 66.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' THR . . . . . 0.456 ' HA ' ' OD2' ' A' ' 724' ' ' ASP . 56.3 m -70.82 -49.71 43.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . 0.41 ' CG2' ' HG2' ' A' ' 778' ' ' MET . 28.0 t -55.73 -35.0 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.039 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 727' ' ' GLU . 0.8 OUTLIER -61.48 -45.93 92.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.671 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.456 ' CB ' ' NE2' ' A' ' 750' ' ' HIS . 0.6 OUTLIER -67.99 -41.31 82.51 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.693 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 16.6 mm -70.86 -37.77 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.427 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 775' ' ' HIS . 36.0 t -59.65 -47.88 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.721 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 723' ' ' ASP . 1.3 mt-10 -62.14 -49.43 75.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 111.24 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 35.7 t -61.57 -35.71 78.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.381 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . 0.405 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.82 -39.11 76.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 111.13 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -67.81 -31.93 72.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.65 -31.51 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -96.08 0.73 62.44 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.226 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.04 46.9 2.75 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.385 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 55.44 17.11 11.69 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.216 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.8 125.5 7.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.813 0.307 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 729' ' ' LEU . 4.5 mp -155.33 157.59 37.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -96.85 168.73 10.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 0.0 111.347 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 1.651 ' HE2' ' CE1' ' A' ' 738' ' ' PHE . 0.2 OUTLIER -47.81 -47.48 31.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.008 -179.482 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.27 -45.75 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 1.5 mt-10 -70.61 -45.94 64.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.414 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 3.8 tp -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.037 0.446 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 39.8 ttp180 -61.79 -45.11 95.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.106 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -61.8 -39.37 91.5 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.6 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.47 -31.16 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.97 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 750' ' ' HIS . 7.0 mt -77.48 -42.36 36.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.541 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -63.78 -9.11 31.36 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.16 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . 0.436 ' HB2' ' CD2' ' A' ' 750' ' ' HIS . 9.8 mmmm -104.5 -9.46 18.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.898 0.349 . . . . 0.0 111.442 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.02 33.44 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.456 ' NE2' ' CB ' ' A' ' 724' ' ' ASP . 99.2 m-70 -75.29 131.44 40.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.681 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.8 p -74.6 145.48 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.067 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.73 -39.69 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.1 82.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.03 -39.58 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 8.0 mt -67.68 -40.58 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.84 -36.16 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.95 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 109.583 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . 0.438 ' CD1' ' CG2' ' A' ' 721' ' ' THR . 42.5 mt -60.83 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.439 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.831 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.79 -42.99 90.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.59 -44.38 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.469 0.652 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -57.6 -44.88 85.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.599 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.422 ' CE2' ' HE1' ' A' ' 778' ' ' MET . 56.2 m-85 -86.03 -39.84 16.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 5.7 t70 -69.91 62.22 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.245 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -20.94 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -82.26 -13.96 56.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.392 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.21 30.9 61.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -91.29 12.91 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 52.46 27.62 5.15 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.453 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.07 138.29 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.975 0.417 . . . . 0.0 111.395 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.5 tp -109.97 128.09 55.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.713 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 20.0 p -121.12 174.28 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.318 0.58 . . . . 0.0 111.892 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -29.5 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.312 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -51.23 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.94 -37.39 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.563 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 726' ' ' SER . 0.5 OUTLIER -68.58 -34.57 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -47.14 80.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 778' ' ' MET . 0.0 OUTLIER -64.19 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 777' ' ' GLN . 38.8 ttm -56.93 -52.85 63.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -42.95 99.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.777 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -45.14 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.7 -35.98 77.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -35.83 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.04 -25.45 58.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.19 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -26.18 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -93.09 -33.0 14.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.41 22.63 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.548 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.57 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.054 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.52 19.39 10.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.22 -76.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.02 96.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 16.6 mt -149.04 82.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.54 28.17 16.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.1 m -58.87 171.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.05 144.13 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -129.07 157.97 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -20.68 55.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -71.67 -29.99 65.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 2.1 m -73.62 -49.5 25.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 20.8 t -55.73 -35.08 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.285 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -37.35 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.412 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' ASP . . . . . 0.428 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 48.2 m-20 -71.52 -47.59 54.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.9 -37.94 70.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.013 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 31.9 t -64.53 -47.86 77.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.7 pt-20 -59.08 -49.19 78.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.724 0.297 . . . . 0.0 111.025 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.1 m -68.08 -32.53 72.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.026 0.441 . . . . 0.0 110.33 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.6 -41.11 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.586 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -31.89 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -31.32 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.285 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 732' ' ' GLY . . . . . 0.441 ' HA3' ' CD1' ' A' ' 736' ' ' LEU . . . -80.84 -11.21 84.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.063 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.45 35.29 5.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.237 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 87.02 -47.01 3.62 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.434 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -111.88 133.11 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' LEU . . . . . 0.441 ' CD1' ' HA3' ' A' ' 732' ' ' GLY . 0.8 OUTLIER -149.85 149.28 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.761 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -93.62 166.82 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' PHE . . . . . 0.799 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.59 -44.39 26.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.864 -179.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.23 -46.63 73.22 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.48 -46.03 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.521 0.564 . . . . 0.0 112.521 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.422 ' CB ' ' HZ ' ' A' ' 759' ' ' PHE . 4.4 tp -65.42 -45.51 83.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.229 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.4 OUTLIER -58.76 -44.04 90.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.231 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.12 -44.53 87.79 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.152 0.501 . . . . 0.0 109.917 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.02 -31.45 72.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.26 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . 0.417 HD21 ' CG ' ' A' ' 750' ' ' HIS . 9.4 mt -77.29 -41.07 42.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.569 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -39.18 93.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.176 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.57 -13.7 61.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.526 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -93.76 -13.79 26.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 111.257 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.48 8.79 24.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.978 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 724' ' ' ASP . 91.3 m-70 -82.78 135.21 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.8 p -80.68 155.66 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -36.99 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.6 92.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.19 -42.89 83.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 759' ' ' PHE . 6.7 mt -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -36.0 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.84 -50.15 63.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.111 0.482 . . . . 0.0 109.896 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.35 -45.81 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' PHE . . . . . 0.799 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.63 -41.55 92.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.947 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 19.4 p -68.35 -44.15 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.519 0.676 . . . . 0.0 109.971 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -44.89 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.745 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' TYR . . . . . 0.428 ' CE2' ' HE1' ' A' ' 778' ' ' MET . 64.0 m-85 -86.11 -40.08 16.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 6.5 t70 -69.63 62.26 0.17 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.834 0.349 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -20.91 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.268 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -82.21 -14.15 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.358 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.94 30.35 60.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.808 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.22 16.57 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 28.1 mm-40 50.29 29.73 3.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -145.52 135.39 23.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.074 0.464 . . . . 0.0 111.595 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 3.7 tp -106.58 126.47 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.576 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 1.1 m -118.61 168.79 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.0 112.059 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -31.03 9.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.04 -49.47 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.84 -40.9 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -65.93 -34.83 79.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.842 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -58.52 -40.88 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -62.73 -31.38 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' MET . . . . . 0.428 ' HE1' ' CE2' ' A' ' 762' ' ' TYR . 29.4 ttm -56.93 -45.64 82.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -65.01 -44.47 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.85 -46.9 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.62 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -36.22 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -75.68 -27.63 58.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -25.36 67.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -70.9 -38.37 73.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.62 -66.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -159.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 19.2 t0 73.0 57.93 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.94 0.4 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.83 -31.79 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.65 50.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 11.5 mt -126.85 76.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.919 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -26.72 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -65.65 -39.97 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.843 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -62.23 -49.32 76.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.79 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 782' ' ' LEU . 16.1 t -55.37 -37.68 45.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.532 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.598 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 32.6 m-20 -68.3 -45.19 73.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.72 HD11 HD13 ' A' ' 758' ' ' ILE . 4.7 mt -70.99 -37.76 69.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 7.4 t -62.06 -48.0 82.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.627 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.0 pt-20 -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 29.6 t -63.85 -33.4 75.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.226 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -37.47 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.67 -32.02 69.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -85.78 -11.03 74.85 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.957 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.31 41.36 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 63.13 11.49 39.2 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.288 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.5 OUTLIER -153.65 130.11 10.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.97 0.385 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.807 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.4 mp -156.88 154.74 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.788 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -96.1 167.81 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.845 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.75 -46.32 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.759 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -46.44 78.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.8 mt-10 -69.8 -45.94 66.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.28 -41.54 89.68 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.092 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.1 ttm-85 -61.39 -45.08 95.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.3 pt20 -62.09 -41.22 97.97 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.756 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 744' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.1 OUTLIER -67.25 -31.22 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.963 178.512 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.69 HD13 HG23 ' A' ' 755' ' ' ILE . 7.2 mt -77.69 -42.71 33.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.356 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -38.91 93.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.303 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.04 -11.91 59.35 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.556 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -11.44 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 111.278 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.5 4.16 28.68 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.998 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 71.9 m80 -78.08 132.18 37.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.6 p -78.63 151.87 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.542 ' HA ' HD12 ' A' ' 755' ' ' ILE . 3.4 t70 -58.53 -39.68 80.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.02 83.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.82 99.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.69 HG23 HD13 ' A' ' 745' ' ' LEU . 7.1 mt -66.32 -41.18 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 760' ' ' THR . 1.0 OUTLIER -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.04 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.13 64.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.141 0.496 . . . . 0.0 109.829 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.843 HD11 HG21 ' A' ' 721' ' ' THR . 65.3 mt -61.33 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.845 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.67 -42.71 90.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.065 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 756' ' ' GLU . 33.4 p -68.48 -44.19 75.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.56 0.695 . . . . 0.0 110.015 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -47.73 78.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.739 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 71.2 m-85 -85.94 -37.16 19.35 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.2 t70 -69.49 62.26 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.873 0.368 . . . . 0.0 111.073 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -63.07 -27.03 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.33 -11.27 59.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.399 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.54 29.94 58.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.786 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -91.02 10.6 26.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.254 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 53.45 29.81 9.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.387 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.95 135.14 24.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.389 . . . . 0.0 111.399 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -107.29 125.81 51.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.833 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.6 OUTLIER -119.65 171.07 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.271 0.557 . . . . 0.0 111.884 -179.003 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.459 ' H ' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -49.96 -32.61 15.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.027 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -50.08 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.722 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.732 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.2 mt-10 -62.81 -40.36 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.65 -34.79 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -56.81 -43.82 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.697 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -60.23 -31.26 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.774 ' SD ' HG13 ' A' ' 722' ' ' VAL . 38.2 ttm -56.84 -53.15 61.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -63.44 -40.56 97.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.93 76.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.37 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.61 -35.96 70.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.617 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.752 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.776 ' HB3' HD21 ' A' ' 782' ' ' LEU . 5.9 pttt -55.64 -25.98 42.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -61.05 -49.64 76.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 758' ' ' ILE . 0.1 OUTLIER -58.36 -46.69 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.754 HG22 ' HG2' ' A' ' 778' ' ' MET . 17.3 t -55.37 -42.75 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.003 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.4 OUTLIER -59.73 -46.3 89.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.61 ' CB ' ' CE1' ' A' ' 750' ' ' HIS . 0.3 OUTLIER -63.53 -41.17 98.49 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.43 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 758' ' ' ILE . 20.2 mt -70.94 -37.72 69.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 10.3 p -57.65 -47.99 80.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.891 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 0.8 OUTLIER -68.29 -49.55 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.206 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -36.7 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.83 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.712 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.52 -31.95 72.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.447 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 731' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 727' ' ' GLU . 9.9 mm-40 -60.18 -37.61 80.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.94 7.09 67.25 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.154 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 89.58 48.85 3.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.39 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.651 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 52.58 22.94 12.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.024 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 23.6 mttt -153.58 125.78 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.841 ' HB2' HD13 ' A' ' 741' ' ' LEU . 2.8 mp -157.52 157.74 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -96.54 169.37 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.84 -47.85 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -44.97 83.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.795 ' HB3' HD23 ' A' ' 736' ' ' LEU . 3.2 mt-10 -69.7 -45.88 67.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.9 tp -67.04 -39.21 86.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 0.0 109.847 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 16.6 ttm-85 -62.15 -47.02 86.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.98 -41.83 97.17 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.63 -31.26 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.719 HD13 HG12 ' A' ' 755' ' ' ILE . 8.6 mt -79.09 -38.86 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.523 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -39.23 93.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.313 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.27 -14.32 68.67 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.538 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 748' ' ' LYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 10.0 mptt -90.5 -13.22 35.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.408 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.71 5.83 33.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 724' ' ' ASP . 30.7 m80 -84.17 140.02 32.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 110.674 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.06 163.25 17.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.477 . . . . 0.0 111.58 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 755' ' ' ILE . 7.8 m-20 -62.54 -34.98 78.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.39 . . . . 0.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.73 -42.2 82.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.719 HG12 HD13 ' A' ' 745' ' ' LEU . 7.4 mt -66.43 -42.8 90.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.13 -36.92 80.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 761' ' ' LYS . . . -65.81 -50.33 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.236 0.541 . . . . 0.0 110.034 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 721' ' ' THR . 79.3 mt -60.73 -44.93 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.283 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.85 -42.81 90.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.403 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 757' ' ' ALA . 14.3 t -68.51 -44.36 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.399 0.618 . . . . 0.0 110.325 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 761' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 757' ' ' ALA . 1.2 tmtm? -56.38 -47.86 78.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.591 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 778' ' ' MET . 69.9 m-85 -85.92 -35.56 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 51.0 t0 -68.89 62.22 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.62 -42.2 87.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.92 -13.25 61.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.339 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.21 37.47 72.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.883 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -88.65 10.16 21.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.26 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER 56.81 28.15 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.249 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -145.97 135.5 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.863 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -105.38 124.73 50.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.576 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 170.35 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.313 0.578 . . . . 0.0 112.08 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -48.07 -33.67 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.46 -49.13 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.863 ' OE1' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.94 -41.91 99.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -63.57 -35.38 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -34.62 68.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 777' ' ' GLN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -59.48 -36.36 75.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.539 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.754 ' HG2' HG22 ' A' ' 722' ' ' VAL . 2.9 ttm -56.9 -55.01 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -44.6 84.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.425 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -46.94 77.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -33.33 75.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.288 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -71.21 -33.72 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -56.94 -26.88 60.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.7 -40.78 97.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.875 HG21 HD11 ' A' ' 758' ' ' ILE . 0.0 OUTLIER -63.07 -49.25 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 782' ' ' LEU . 21.2 t -55.65 -40.54 60.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.89 -41.29 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.612 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 14.5 m-20 -69.54 -44.63 70.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.808 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.755 HD11 HD13 ' A' ' 758' ' ' ILE . 5.2 mt -70.88 -37.73 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 18.7 t -62.85 -45.21 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.18 78.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 18.2 m -67.28 -32.53 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.314 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.803 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.6 tm? -67.02 -40.38 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.707 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -68.53 -31.84 71.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.17 -32.44 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.376 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.741 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -79.6 -11.06 85.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.06 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.36 35.17 6.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.988 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.803 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 86.49 -47.13 3.69 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.413 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.797 ' CG ' HG22 ' A' ' 771' ' ' THR . 1.7 ttpt -102.38 135.26 44.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.294 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -155.42 143.65 20.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.98 166.95 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.805 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -46.16 30.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.927 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.35 -46.55 76.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.626 ' HB3' HD23 ' A' ' 736' ' ' LEU . 16.7 mt-10 -70.18 -46.03 65.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.8 tp -65.35 -43.34 91.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 0.0 110.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 17.1 ttp180 -60.0 -44.74 94.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.469 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -58.26 -45.86 87.05 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.176 0.512 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -31.13 72.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 755' ' ' ILE . 6.7 mt -78.42 -43.51 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.679 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -63.33 -39.08 93.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.324 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -70.11 -8.85 62.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.594 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -10.03 25.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.581 0.229 . . . . 0.0 111.266 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 2.18 29.1 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.612 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 55.2 m80 -82.98 136.85 34.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.62 156.21 25.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.6 p-10 -60.48 -37.24 80.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.18 87.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.2 -42.48 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.657 HG23 HD13 ' A' ' 745' ' ' LEU . 6.9 mt -66.88 -39.41 83.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.993 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.31 -36.14 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.19 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 109.943 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.875 HD11 HG21 ' A' ' 721' ' ' THR . 63.0 mt -60.3 -44.75 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.188 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.4 m-85 -65.62 -42.1 91.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.918 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 15.4 p -68.27 -44.12 76.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.403 0.62 . . . . 0.0 110.206 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -57.42 -46.22 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.687 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.417 ' HD2' ' O ' ' A' ' 758' ' ' ILE . 74.5 m-85 -86.06 -38.66 17.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -69.31 62.18 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -63.15 -29.28 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.256 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -74.53 -10.42 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.538 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 53.71 33.2 48.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.949 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -98.09 12.77 33.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 64.4 mm-40 49.84 36.52 11.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.438 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.29 126.7 14.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.96 0.41 . . . . 0.0 111.361 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.68 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -106.44 124.3 49.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.814 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.797 HG22 ' CG ' ' A' ' 735' ' ' LYS . 71.5 p -124.38 177.87 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.354 0.597 . . . . 0.0 111.878 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -52.23 -31.84 34.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.1 -51.17 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.736 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.68 ' OE2' HD12 ' A' ' 770' ' ' LEU . 3.0 mt-10 -63.01 -39.26 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.34 -34.62 76.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -56.81 -42.38 79.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.653 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.47 -31.32 69.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.597 ' SD ' HG13 ' A' ' 722' ' ' VAL . 28.6 ttm -56.88 -49.97 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.794 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -41.94 98.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.84 -46.91 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -70.79 -31.39 68.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.986 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 718' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 722' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -31.71 61.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.91 -49.6 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.845 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -66.85 -41.47 87.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 110.768 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 782' ' ' LEU . 94.2 t -55.44 -47.74 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.1 OUTLIER -61.38 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.584 179.535 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -59.34 -43.39 92.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.912 HD11 HD13 ' A' ' 758' ' ' ILE . 4.9 mt -70.95 -37.64 68.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.52 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.4 t -55.4 -47.88 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 1.0 OUTLIER -63.0 -49.39 74.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.068 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.0 t -61.95 -34.26 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.352 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.803 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.56 -38.91 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.65 -31.91 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -70.89 -36.77 72.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.708 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.99 -11.06 85.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.847 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 102.83 36.13 3.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.833 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.5 -52.49 4.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.958 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.48 136.88 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.341 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 729' ' ' LEU . 1.6 mp -155.41 154.0 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.667 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -108.94 175.5 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 111.633 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.789 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.61 -52.16 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.802 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 739' ' ' ASP . . . . . 0.401 ' HA ' ' NH1' ' A' ' 742' ' ' ARG . 9.2 m-20 -63.32 -47.09 83.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.446 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.8 OUTLIER -71.04 -46.23 62.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.719 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.1 tp -66.18 -42.84 88.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.997 0.427 . . . . 0.0 110.203 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 755' ' ' ILE . 12.8 ttm105 -60.56 -44.76 95.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.276 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -57.96 -45.5 86.58 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.072 0.463 . . . . 0.0 110.044 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -31.26 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.616 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 750' ' ' HIS . 5.8 mt -78.92 -38.79 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.803 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -63.39 -39.02 93.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.238 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -64.83 -14.12 57.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.473 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -14.06 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.525 0.203 . . . . 0.0 111.251 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.97 8.81 25.37 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.051 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 745' ' ' LEU . 92.3 m-70 -78.28 132.17 37.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 8.3 p -81.02 153.0 27.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.796 ' HA ' HD12 ' A' ' 755' ' ' ILE . 6.5 t70 -59.46 -38.28 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.986 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -39.39 89.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.637 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.3 mt -68.09 -40.06 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -36.71 80.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.15 -50.19 64.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.226 0.536 . . . . 0.0 109.816 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.912 HD13 HD11 ' A' ' 725' ' ' ILE . 59.5 mt -61.19 -47.64 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.47 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.818 ' HD1' HD22 ' A' ' 770' ' ' LEU . 0.8 OUTLIER -65.99 -42.52 89.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.473 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.8 t -68.16 -44.22 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.467 0.651 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -56.67 -48.54 77.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 778' ' ' MET . 68.2 m-85 -86.03 -37.37 18.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 15.7 t70 -68.11 62.22 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.17 -25.06 67.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.306 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -76.06 -11.67 59.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 62.56 27.35 69.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.843 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -97.72 15.91 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.648 0.261 . . . . 0.0 111.271 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 46.31 34.68 2.33 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.461 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.61 139.28 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.818 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.9 tp -118.12 135.64 54.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.545 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 46.5 p -124.79 176.15 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 112.028 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.62 -41.49 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.68 -51.08 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.402 ' CD ' HD12 ' A' ' 770' ' ' LEU . 46.0 mt-10 -62.95 -42.71 99.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -65.83 -34.75 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -31.81 65.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.433 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.599 ' SD ' HG22 ' A' ' 722' ' ' VAL . 30.2 ttm -56.8 -45.79 82.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -44.56 88.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -46.9 76.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.79 -41.61 82.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.808 HD12 HG21 ' A' ' 722' ' ' VAL . 0.4 OUTLIER -59.39 -36.85 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 179.808 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 782' ' ' LEU . 3.8 mtmp? -58.51 -22.12 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -72.15 -30.48 65.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.657 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.58 -49.71 24.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.915 0.388 . . . . 0.0 111.003 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.472 HG21 HD12 ' A' ' 782' ' ' LEU . 21.0 t -55.64 -35.02 37.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.335 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.55 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.614 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 23.6 m-20 -66.3 -44.03 84.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.786 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.583 HD11 HD13 ' A' ' 758' ' ' ILE . 6.0 mt -70.76 -46.16 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 726' ' ' SER . . . . . 0.443 ' CA ' ' CE1' ' A' ' 775' ' ' HIS . 1.5 t -58.82 -37.08 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.32 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 74.9 m -68.14 -32.71 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.593 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.661 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.5 -37.49 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -32.02 73.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.16 -27.67 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.743 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.0 -11.11 79.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 100.18 39.01 3.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.58 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.61 5.02 28.14 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.591 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.554 ' C ' HD12 ' A' ' 736' ' ' LEU . 15.1 pttt -153.71 132.05 12.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.281 0.54 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.892 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.0 mp -155.84 157.67 36.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.777 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -97.13 169.66 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.242 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.806 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -45.51 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.779 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -46.55 72.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.517 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.6 mm-40 -69.72 -46.24 66.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.892 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.43 -42.94 91.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.983 0.42 . . . . 0.0 110.116 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.0 OUTLIER -60.36 -43.58 96.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.698 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 744' ' ' ASP . 0.3 OUTLIER -62.82 -36.41 83.09 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.793 179.292 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 744' ' ' ASP . . . . . 0.531 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 3.3 m-20 -72.17 -31.34 65.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.024 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.662 HD13 HG23 ' A' ' 755' ' ' ILE . 6.9 mt -78.09 -44.02 27.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.423 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.89 92.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.312 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.38 -11.33 59.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.563 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.26 -10.65 23.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.566 0.222 . . . . 0.0 111.253 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 3.18 29.1 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.6 m80 -78.86 133.37 37.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.4 p -79.38 152.97 30.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.57 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.1 p-10 -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.83 80.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.662 HG23 HD13 ' A' ' 745' ' ' LEU . 7.7 mt -67.49 -41.54 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 760' ' ' THR . 40.8 tt0 -65.13 -36.58 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.954 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.0 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 109.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 721' ' ' THR . 88.2 mt -60.81 -46.06 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.309 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.806 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.3 m-85 -65.61 -42.71 91.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.142 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 756' ' ' GLU . 30.6 p -68.46 -44.19 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.484 0.659 . . . . 0.0 110.065 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -57.79 -44.91 86.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.615 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 59.7 m-85 -86.08 -35.97 19.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 60.2 t0 -67.31 62.42 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.264 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 764' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 762' ' ' TYR . 8.3 pt20 -60.66 -41.49 95.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -71.95 -10.13 59.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.321 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.37 35.1 60.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.74 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -90.36 10.94 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.631 0.253 . . . . 0.0 111.206 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 52.95 29.21 7.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -144.79 134.93 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 111.349 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 770' ' ' LEU . 3.7 tp -109.59 126.46 53.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.675 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 55.7 p -127.3 -179.43 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.289 0.566 . . . . 0.0 111.852 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 -38.35 56.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.37 -51.38 67.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.42 -39.16 93.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 15.5 t60 -68.07 -34.82 77.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -59.64 -34.59 73.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -64.91 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 2.8 mtt -56.81 -47.27 80.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.68 85.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -47.06 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.37 -41.1 93.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.7 OUTLIER -56.85 -41.03 77.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.229 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.566 0.222 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -52.48 -34.0 47.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.575 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -65.14 -45.14 86.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.112 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.687 HG21 HD11 ' A' ' 758' ' ' ILE . 15.4 m -63.59 -49.2 74.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.106 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.794 HG21 HD12 ' A' ' 782' ' ' LEU . 62.3 t -55.35 -45.57 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.942 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -30.35 70.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.335 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.596 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 30.5 m-20 -65.9 -44.72 84.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.457 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.02 -37.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.69 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 726' ' ' SER . . . . . 0.486 ' CA ' ' CE1' ' A' ' 775' ' ' HIS . 0.4 OUTLIER -58.78 -48.05 82.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.0 pt-20 -59.57 -48.71 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 30.1 t -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.784 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -40.08 76.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.28 -32.77 74.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.661 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -95.92 7.03 67.28 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.024 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.24 48.54 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.429 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.594 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.34 19.07 7.81 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.216 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.593 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.97 7.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.82 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.3 mp -156.45 160.02 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -99.38 170.0 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.815 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.92 -51.96 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.947 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.14 -46.58 86.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.507 ' HB3' HD23 ' A' ' 736' ' ' LEU . 9.2 mt-10 -68.54 -46.04 70.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.84 -39.15 90.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.012 0.434 . . . . 0.0 110.082 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.0 ttp180 -60.93 -46.84 89.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -58.05 -45.98 86.12 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.163 0.506 . . . . 0.0 109.841 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -31.06 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.325 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.669 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.38 -41.44 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.527 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.11 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.151 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.41 -14.1 59.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.486 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -11.68 23.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.568 0.223 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.37 8.01 25.64 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.903 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 74.5 m80 -81.41 134.31 35.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 751' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 755' ' ' ILE . 6.5 p -84.94 159.89 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -38.17 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.67 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -46.44 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.669 HG23 HD13 ' A' ' 745' ' ' LEU . 10.0 mt -63.82 -37.92 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 760' ' ' THR . 40.7 tt0 -67.64 -35.68 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.264 0.554 . . . . 0.0 109.799 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 721' ' ' THR . 54.1 mt -59.62 -45.86 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.32 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.815 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 2.0 m-85 -65.94 -41.82 90.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.102 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.8 p -68.46 -44.16 75.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.492 0.663 . . . . 0.0 110.18 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -46.86 86.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.788 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.504 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 58.8 m-85 -86.04 -39.96 16.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 4.7 t70 -70.15 62.23 0.21 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.327 . . . . 0.0 110.957 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -66.65 -23.62 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.8 p30 -78.28 -7.83 57.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.359 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.41 21.88 28.75 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.867 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -82.92 0.67 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 111.226 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.412 ' OE1' ' CE2' ' A' ' 738' ' ' PHE . 16.4 mm-40 58.91 30.38 20.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -141.93 128.07 19.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 111.319 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.696 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -100.51 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -117.41 167.39 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.314 0.578 . . . . 0.0 112.091 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -46.28 -29.84 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.61 -47.14 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.696 ' OE2' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.96 -41.82 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.613 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 12.1 t60 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -58.87 -32.25 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.36 -31.53 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.613 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 6.5 mtt -60.63 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.75 90.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -42.8 88.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.47 -45.43 93.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.253 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 722' ' ' VAL . 1.1 tt -62.11 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 782' ' ' LEU . 15.8 mtpt -57.9 -21.61 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.22 -49.46 67.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -49.1 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 782' ' ' LEU . 62.1 t -55.33 -45.95 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.21 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -42.18 98.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.94 0.4 . . . . 0.0 110.575 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.62 -39.36 94.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 758' ' ' ILE . 8.1 mt -70.91 -40.88 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 1.7 m -60.24 -42.57 95.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -49.22 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 34.8 m -66.39 -32.66 74.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.55 -37.74 77.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.06 73.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -77.5 -26.92 51.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.371 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -83.15 -11.23 81.35 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.154 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.86 37.27 4.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.172 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 85.57 -50.25 4.3 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.203 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.822 ' HD3' HG22 ' A' ' 771' ' ' THR . 23.6 mttm -102.27 125.35 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.825 ' CB ' HD13 ' A' ' 741' ' ' LEU . 4.6 mm? -132.07 135.96 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -88.93 164.76 15.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.439 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.8 -45.37 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.559 -179.358 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -46.43 78.59 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 29.3 mm-40 -69.07 -45.81 69.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.7 tp -66.16 -41.48 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.007 0.432 . . . . 0.0 110.085 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.6 ttm180 -62.13 -46.99 86.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 16.2 pt20 -60.24 -40.52 90.53 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.956 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 744' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.7 m-20 -68.47 -31.25 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.938 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.84 -40.54 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.553 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -39.19 93.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.273 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.25 -13.44 64.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.614 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -14.61 22.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 111.333 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.54 5.91 27.48 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.936 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 745' ' ' LEU . 79.7 m-70 -79.01 132.68 36.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 751' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 754' ' ' GLU . 12.4 p -79.71 154.59 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -60.24 -35.82 76.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.05 -48.07 81.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 754' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 755' ' ' ILE . 6.4 pt-20 -67.26 -37.42 83.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.989 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 745' ' ' LEU . 9.2 mt -70.21 -41.01 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.617 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.91 -34.0 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 760' ' ' THR . . . -67.42 -50.09 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.079 0.466 . . . . 0.0 109.873 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 725' ' ' ILE . 54.5 mt -62.7 -44.97 99.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.3 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.85 -42.87 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.155 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 757' ' ' ALA . 7.7 t -68.68 -44.1 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.429 0.633 . . . . 0.0 110.264 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -56.29 -46.04 79.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.735 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.407 ' HD2' ' O ' ' A' ' 758' ' ' ILE . 71.1 m-85 -86.07 -36.94 19.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 52.3 t0 -67.7 62.35 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 111.35 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.27 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -85.66 -14.1 46.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.373 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.65 42.83 78.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.195 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -94.35 17.34 13.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 6.6 mp0 56.27 20.64 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.541 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -146.14 144.57 30.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.2 tp -111.66 130.87 55.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.731 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.822 HG22 ' HD3' ' A' ' 735' ' ' LYS . 26.5 p -112.79 162.5 15.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.262 0.553 . . . . 0.0 111.92 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.01 -30.77 11.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.043 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -68.38 -48.42 64.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.86 -41.01 99.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -68.35 -34.54 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -56.63 -34.43 67.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.5 -31.38 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.602 ' SD ' HG13 ' A' ' 722' ' ' VAL . 46.3 ttm -56.9 -50.43 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.5 92.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.11 -43.78 86.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -39.09 82.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 722' ' ' VAL . 1.3 tt -59.46 -45.82 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.754 ' HG3' HD22 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -57.53 -24.29 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.076 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -70.21 -27.49 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.392 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.797 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.66 -49.57 25.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.034 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.11 -34.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -44.59 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.408 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.608 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 28.2 m-20 -66.16 -40.14 90.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.71 HD13 HD21 ' A' ' 745' ' ' LEU . 13.2 mm -70.98 -47.74 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -47.91 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.841 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.5 pt-20 -56.25 -49.14 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.9 m -67.49 -32.83 73.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.884 0.373 . . . . 0.0 110.608 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.709 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.55 -37.42 77.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -66.1 -31.87 73.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.88 -28.57 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -83.43 -11.14 80.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.943 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.2 5.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.016 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 83.8 -45.24 3.44 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.598 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.741 ' CG ' HG23 ' A' ' 771' ' ' THR . 12.4 mttt -102.38 134.76 45.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 111.416 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.775 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.5 OUTLIER -156.46 145.46 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.754 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -94.31 167.11 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.315 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.824 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.6 -45.07 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.698 -179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.42 -46.48 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.596 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -68.99 -45.96 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.697 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.0 tp -65.45 -43.53 90.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.248 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 25.6 ttp180 -59.35 -44.15 92.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.311 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -46.04 87.58 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -31.29 72.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.243 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 725' ' ' ILE . 10.5 mt -78.1 -39.94 39.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.559 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -39.02 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.201 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.93 63.74 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.529 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -95.14 -14.07 24.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.638 0.256 . . . . 0.0 111.27 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.51 6.24 29.19 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.608 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.4 m80 -79.63 133.92 36.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 155.24 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.4 p-10 -58.74 -36.49 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.02 92.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.28 -41.42 85.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.657 HG12 HD13 ' A' ' 745' ' ' LEU . 9.6 mt -68.0 -41.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.56 -35.98 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.159 0.504 . . . . 0.0 110.001 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 721' ' ' THR . 81.3 mt -60.83 -45.34 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.295 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.824 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.75 -42.48 90.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.94 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 756' ' ' GLU . 24.4 p -68.33 -44.32 75.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.31 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.8 -47.16 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.584 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 73.6 m-85 -85.99 -36.67 19.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 49.0 t0 -68.21 62.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.793 0.33 . . . . 0.0 111.315 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.65 -33.53 71.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -80.11 -13.83 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.56 39.56 75.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.007 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -90.39 12.64 17.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.61 0.243 . . . . 0.0 111.153 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.0 OUTLIER 55.3 24.15 6.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.438 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -146.02 140.36 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.1 tp -111.8 129.68 56.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.958 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.741 HG23 ' CG ' ' A' ' 735' ' ' LYS . 3.0 m -118.77 167.12 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.178 0.513 . . . . 0.0 111.686 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.41 ' H ' HG22 ' A' ' 771' ' ' THR . 2.5 tt0 -50.08 -30.54 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.51 -51.1 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.451 ' OE1' HD12 ' A' ' 770' ' ' LEU . 14.0 mt-10 -63.02 -37.39 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.639 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 729' ' ' LEU . 7.3 t-80 -66.89 -36.04 81.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.83 -33.63 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.45 -31.25 70.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 57.3 mtp -56.95 -54.9 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.023 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -43.69 98.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -47.09 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.59 -42.0 98.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.238 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.754 HD22 ' HG3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -58.78 -39.02 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.304 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.958 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.779 0.324 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.743 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -55.72 -28.89 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.333 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -27.04 66.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.285 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.543 ' CG2' HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -70.64 -49.67 45.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.549 HG21 HD12 ' A' ' 782' ' ' LEU . 61.6 t -55.94 -35.65 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.55 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.615 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 42.5 m-20 -66.12 -45.34 81.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.06 -37.92 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 -48.01 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.814 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -61.4 -49.3 77.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.17 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.2 m -67.27 -32.51 73.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.965 0.412 . . . . 0.0 110.392 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.819 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.4 tm? -69.38 -42.79 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.842 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -65.62 -31.98 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -26.45 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.609 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -81.87 -11.19 83.07 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.222 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 98.73 32.92 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.819 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 88.68 -44.44 3.15 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.533 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.69 137.51 54.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.001 0.4 . . . . 0.0 111.409 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.795 ' HB2' HD13 ' A' ' 741' ' ' LEU . 1.5 mt -146.31 153.69 40.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.765 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.96 166.37 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.822 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.69 -45.41 28.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.851 -179.536 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.61 -46.55 75.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.6 -45.96 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 736' ' ' LEU . 6.1 tp -64.75 -45.46 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.08 0.467 . . . . 0.0 110.247 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.5 OUTLIER -59.31 -44.37 92.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.368 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -57.93 -44.24 86.77 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.157 0.503 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.08 -31.19 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.267 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 755' ' ' ILE . 8.3 mt -76.96 -42.22 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.471 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -63.49 -39.02 93.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.99 -14.59 61.42 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.442 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -95.35 -12.59 25.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.609 0.243 . . . . 0.0 111.203 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 7.83 25.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.965 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.615 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 72.9 m80 -81.83 134.3 35.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 71.7 p -82.76 158.01 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -59.47 -36.71 76.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -43.11 97.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 745' ' ' LEU . 7.8 mt -66.25 -41.07 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.242 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.49 -34.19 77.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.02 63.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 109.759 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.543 HD11 ' CG2' ' A' ' 721' ' ' THR . 80.9 mt -61.16 -47.12 94.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.822 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -65.87 -43.03 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.381 -179.551 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.7 t -68.71 -44.31 74.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.468 0.652 . . . . 0.0 110.089 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -57.45 -43.89 84.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.457 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.523 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 44.9 m-85 -86.19 -39.97 16.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 7.5 t70 -69.4 62.29 0.15 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 111.361 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -24.25 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -79.01 -11.2 60.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.406 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.75 29.43 58.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.884 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -94.46 17.25 13.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 46.92 28.74 0.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -140.37 131.53 26.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 111.427 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.763 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -103.4 122.73 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.512 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -116.99 168.86 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.258 0.551 . . . . 0.0 111.967 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -48.38 -29.47 4.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.98 -49.84 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.4 mt-10 -62.87 -39.79 95.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.584 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 58.7 t-80 -68.11 -34.83 77.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.65 -35.05 76.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -64.8 -31.81 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.584 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 9.0 mtt -58.03 -47.71 82.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -44.59 95.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -46.84 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -29.16 68.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -70.89 -34.53 71.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.12 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.594 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.6 tttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.436 ' N ' HD21 ' A' ' 782' ' ' LEU . 1.5 tttt -60.44 -19.52 56.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -67.64 -42.5 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -49.4 65.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.642 HG21 HD13 ' A' ' 782' ' ' LEU . 50.1 t -55.81 -40.87 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -44.03 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.571 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.599 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 24.4 m-20 -64.78 -40.77 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.762 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.704 HD11 HD13 ' A' ' 758' ' ' ILE . 13.9 mt -71.09 -45.82 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 726' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 775' ' ' HIS . 15.1 m -55.33 -48.03 74.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.747 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.5 pt-20 -59.79 -49.05 79.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.519 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 75.2 m -66.52 -32.82 74.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.61 -37.36 76.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 110.882 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.49 -31.96 73.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -34.06 60.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.737 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.9 -11.17 85.66 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.127 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.17 35.37 4.79 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.994 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 81.75 -53.54 4.72 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.399 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.619 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -102.41 130.3 49.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 111.354 -179.36 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.737 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.4 mt -147.32 151.05 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -94.77 167.6 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.303 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.813 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.68 -45.85 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.909 -179.622 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.32 -46.55 76.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.09 -45.94 65.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.5 tp -65.03 -44.25 89.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.027 0.442 . . . . 0.0 110.255 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 10.6 ttp180 -59.72 -44.79 93.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.438 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -57.97 -45.33 86.89 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.232 0.539 . . . . 0.0 109.862 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -31.29 72.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.174 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -76.89 -40.97 45.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.488 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -39.06 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.224 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.34 -13.02 59.69 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.769 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -12.69 22.62 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.81 -0.23 . . . . 0.0 111.381 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.73 7.38 27.67 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.97 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 70.7 m80 -80.33 133.74 35.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.9 p -80.94 155.33 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.11 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -59.06 -36.29 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.26 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -67.04 -41.99 85.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 745' ' ' LEU . 9.0 mt -67.59 -40.86 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.91 -35.38 78.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.94 -50.21 63.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.129 0.49 . . . . 0.0 109.935 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 725' ' ' ILE . 68.4 mt -60.91 -45.48 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.179 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.813 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.6 m-85 -65.69 -42.53 91.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.021 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 756' ' ' GLU . 38.7 p -68.23 -44.17 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.449 0.642 . . . . 0.0 110.187 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -57.65 -46.95 83.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.8 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 68.5 m-85 -85.98 -38.73 17.63 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -68.62 62.21 0.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.688 0.28 . . . . 0.0 111.348 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.55 -19.94 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.1 -12.94 57.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.457 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.55 24.1 55.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.765 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 48.3 p30 -83.69 1.77 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 0.0 111.406 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 61.16 26.96 16.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -146.11 140.92 27.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 111.141 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.551 HD12 ' OE1' ' A' ' 774' ' ' GLU . 2.8 tp -110.63 129.12 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.73 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.47 167.81 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 111.95 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 771' ' ' THR . 7.3 tt0 -49.45 -32.15 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -66.49 -49.6 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.551 ' OE1' HD12 ' A' ' 770' ' ' LEU . 1.9 mt-10 -62.98 -41.26 99.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 66.0 t-80 -64.14 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.727 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.0 66.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 21.2 mtt -56.77 -44.22 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -44.49 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.312 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.1 -46.94 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -42.68 96.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -62.31 -34.93 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 32.7 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.319 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.458 ' HG2' HD22 ' A' ' 782' ' ' LEU . 0.9 OUTLIER -57.79 -22.52 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.6 -41.1 80.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.683 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -67.12 -49.5 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.403 . . . . 0.0 110.866 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.597 HG21 HD12 ' A' ' 782' ' ' LEU . 22.0 t -55.4 -38.74 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.119 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -35.38 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.888 0.375 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.592 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 28.1 m-20 -68.65 -44.05 74.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 721' ' ' THR . 3.4 mt -70.97 -37.86 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.749 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 726' ' ' SER . . . . . 0.485 ' CA ' ' CE1' ' A' ' 775' ' ' HIS . 1.2 t -62.0 -47.85 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.634 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -59.22 -46.58 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.192 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 32.4 m -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.66 -37.4 76.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.28 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.96 -30.14 66.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -94.87 6.99 70.12 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.07 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.5 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 56.98 16.34 17.71 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.312 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.65 125.46 7.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.998 0.399 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.833 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -153.11 158.01 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.39 168.19 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 111.601 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.857 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -46.17 30.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.044 -179.597 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.55 -46.6 72.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.621 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.7 OUTLIER -69.92 -45.96 66.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.33 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.8 tp -64.76 -45.23 87.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.059 0.457 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -58.92 -43.43 91.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.184 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.86 -45.29 86.54 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.224 0.535 . . . . 0.0 109.811 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.04 -31.32 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.143 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 755' ' ' ILE . 7.7 mt -75.52 -44.78 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -63.41 -38.9 92.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -12.83 61.65 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 -11.54 22.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.601 0.239 . . . . 0.0 111.238 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.63 3.24 28.83 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.92 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 71.7 m80 -77.09 130.93 38.05 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.825 0.312 . . . . 0.0 110.811 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.21 151.63 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' A' ' 755' ' ' ILE . 23.8 t70 -57.43 -39.7 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.262 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.28 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.363 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -39.68 94.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 745' ' ' LEU . 8.6 mt -67.63 -43.35 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.07 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.245 0.545 . . . . 0.0 109.87 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 721' ' ' THR . 56.2 mt -61.92 -46.43 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.367 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.857 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.83 -43.06 89.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.303 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.0 t -68.68 -44.27 74.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.526 0.679 . . . . 0.0 110.179 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -55.74 -48.55 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.792 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.59 ' CD2' ' HE3' ' A' ' 778' ' ' MET . 69.7 m-85 -85.97 -35.39 20.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 10.6 t70 -68.87 62.24 0.11 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -65.63 -21.0 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.253 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -80.51 -12.75 59.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.33 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.76 25.66 56.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.693 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -90.97 10.88 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.695 0.283 . . . . 0.0 111.24 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 51.09 34.0 10.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.335 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -145.72 133.92 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.681 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -106.6 125.12 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 34.9 p -119.55 171.02 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 0.0 111.924 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.34 -34.51 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -48.33 73.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.681 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.8 mt-10 -62.86 -41.26 99.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.485 ' CE1' ' CA ' ' A' ' 726' ' ' SER . 12.8 t60 -63.22 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.782 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -68.56 -31.47 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.601 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.59 ' HE3' ' CD2' ' A' ' 762' ' ' TYR . 13.0 mtp -63.01 -55.16 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -65.65 -41.56 92.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.376 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -46.98 79.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.635 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.04 -32.72 74.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 722' ' ' VAL . 1.7 tt -61.41 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 718' ' ' LYS . . . . . 0.438 ' C ' HD21 ' A' ' 782' ' ' LEU . 4.0 mtpm? . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -19.42 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -40.43 85.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.272 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.6 OUTLIER -73.61 -49.33 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.174 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.602 ' CG2' HD23 ' A' ' 782' ' ' LEU . 31.3 t -55.73 -41.25 64.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -44.58 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.598 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 38.6 m-20 -68.74 -44.37 73.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.869 HD11 HD13 ' A' ' 758' ' ' ILE . 4.8 mt -71.07 -37.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.8 t -63.36 -47.95 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.633 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -59.24 -49.21 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 9.3 m -67.5 -32.54 73.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.265 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.804 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.0 tm? -69.28 -40.99 77.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -32.22 72.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -82.54 -24.93 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.906 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.88 -11.27 85.57 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.215 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.76 7.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.333 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.804 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.62 -44.29 3.25 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.459 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -116.14 128.92 56.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.924 0.393 . . . . 0.0 111.439 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.906 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.1 mt -145.94 155.08 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.71 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 737' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 769' ' ' GLU . 24.2 p30 -110.05 178.3 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.888 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.6 -52.24 18.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.01 -46.89 85.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.513 ' HB3' HD23 ' A' ' 736' ' ' LEU . 21.0 mt-10 -70.72 -46.12 63.67 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.08 -41.07 91.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.899 ' HG3' HD13 ' A' ' 755' ' ' ILE . 8.1 ttt180 -60.24 -46.11 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.96 -45.98 85.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.058 0.456 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -31.25 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.54 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.527 HD13 HG12 ' A' ' 755' ' ' ILE . 6.8 mt -77.54 -40.53 42.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.697 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' A' ' 742' ' ' ARG . 0.0 OUTLIER -63.24 -39.01 93.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.215 -179.104 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -62.53 -16.2 54.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.263 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -97.94 -13.46 21.15 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.607 0.241 . . . . 0.0 111.352 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 106.24 9.97 30.64 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.147 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 75.7 m80 -75.74 132.28 40.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.818 0.342 . . . . 0.0 110.962 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.0 p -80.39 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.111 0.482 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.88 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.9 p-10 -57.31 -37.71 72.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -56.85 -46.65 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -39.19 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.899 HD13 ' HG3' ' A' ' 742' ' ' ARG . 8.3 mt -66.83 -41.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 760' ' ' THR . 22.8 tt0 -67.25 -37.61 83.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.08 67.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 109.877 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.869 HD13 HD11 ' A' ' 725' ' ' ILE . 72.6 mt -60.84 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.716 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.9 OUTLIER -65.95 -42.51 89.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.202 -179.332 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 756' ' ' GLU . 43.7 p -68.03 -44.14 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.715 . . . . 0.0 109.461 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.63 -48.64 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.502 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.408 ' OH ' ' HA ' ' A' ' 778' ' ' MET . 65.0 m-85 -85.93 -40.15 16.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 13.1 t0 -70.6 62.26 0.25 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.24 -38.59 77.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 765' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 765' ' ' ASP . 11.1 p-10 -70.96 -8.71 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.42 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.09 38.84 90.94 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.884 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.97 12.48 30.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.508 0.194 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 49.17 27.29 1.75 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 769' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 737' ' ' ASN . 5.2 tt0 -142.15 135.89 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 0.0 111.069 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.773 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.4 tp -117.22 133.47 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.665 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 58.2 p -125.77 -179.52 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 0.0 112.029 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.82 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.203 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.45 -51.34 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.656 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -68.4 -35.03 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -56.8 -34.28 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.598 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -68.51 -31.43 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.561 ' HG2' HG22 ' A' ' 722' ' ' VAL . 4.7 ttp -57.36 -50.4 73.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -38.34 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.69 88.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -29.2 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 722' ' ' VAL . 0.0 OUTLIER -70.5 -40.12 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -24.08 7.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.477 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -64.81 -49.6 70.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 758' ' ' ILE . 0.0 OUTLIER -58.44 -33.7 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.271 0.558 . . . . 0.0 110.252 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.885 ' CG2' HD13 ' A' ' 782' ' ' LEU . 56.2 t -69.18 -49.84 58.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.285 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -31.24 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 43.2 m-20 -65.36 -48.68 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.962 HD13 ' HE2' ' A' ' 778' ' ' MET . 9.9 mt -71.22 -38.53 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 726' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' A' ' 775' ' ' HIS . 15.8 p -58.63 -47.96 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.122 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 15.2 pt-20 -59.4 -49.12 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.53 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 44.5 t -65.49 -33.2 75.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.716 0.293 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.72 -39.58 76.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.76 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.71 -31.98 73.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.81 -33.16 73.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.176 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.77 -11.04 74.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.11 48.42 2.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.83 11.87 58.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.995 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.887 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -153.57 131.8 11.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.784 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -157.64 150.68 23.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.685 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.18 167.6 10.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.45 . . . . 0.0 111.465 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.817 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.96 -52.03 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.05 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.5 -46.63 87.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.679 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.0 OUTLIER -70.59 -45.69 64.88 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.252 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.784 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.3 tp -65.48 -41.39 93.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.994 0.425 . . . . 0.0 110.111 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 1.5 ttt180 -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.5 pt20 -61.98 -40.56 96.03 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -31.19 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.986 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.654 HD13 HG23 ' A' ' 755' ' ' ILE . 8.4 mt -77.13 -43.82 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.88 92.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.175 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.62 -12.86 57.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.416 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -9.32 26.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.681 0.277 . . . . 0.0 111.208 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.65 5.54 27.59 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.877 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 72.8 m80 -80.05 132.31 35.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 751' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 755' ' ' ILE . 2.1 m -80.84 155.83 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.0 p-10 -59.58 -39.91 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.18 -43.31 95.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.654 HG23 HD13 ' A' ' 745' ' ' LEU . 6.6 mt -67.3 -37.98 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 760' ' ' THR . 0.3 OUTLIER -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.067 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.17 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.273 0.558 . . . . 0.0 109.671 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 721' ' ' THR . 88.1 mt -58.87 -47.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.423 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.817 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.94 -41.03 91.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.143 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.6 p -68.45 -44.31 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.483 0.659 . . . . 0.0 110.315 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -58.14 -47.86 82.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.961 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 778' ' ' MET . 62.4 m-85 -86.01 -36.79 19.53 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 28.4 t0 -69.67 62.24 0.17 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.66 -40.8 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.87 -11.73 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.21 35.83 55.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.019 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -88.31 9.51 22.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.298 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.7 OUTLIER 56.78 27.49 12.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.319 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -145.9 132.72 20.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 111.349 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.62 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.3 tp -105.0 124.02 48.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.887 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.56 168.59 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.261 0.553 . . . . 0.0 112.008 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 771' ' ' THR . 9.5 pt-20 -47.79 -31.73 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.95 -50.34 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.62 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -63.04 -40.51 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.661 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 778' ' ' MET . 29.3 t-80 -64.55 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -56.46 -30.54 63.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -67.08 -31.29 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.962 ' HE2' HD13 ' A' ' 725' ' ' ILE . 0.1 OUTLIER -56.93 -54.35 47.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.03 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -44.53 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -46.89 76.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.045 0.45 . . . . 0.0 110.933 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.94 -35.07 79.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.164 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.885 HD13 ' CG2' ' A' ' 722' ' ' VAL . 0.5 OUTLIER -71.29 -40.98 70.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.419 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.183 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 718' ' ' LYS . . . . . 0.699 ' C ' HD11 ' A' ' 782' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.904 0.383 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.606 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -58.73 -27.2 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.163 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.21 -28.66 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.777 HG22 HD11 ' A' ' 725' ' ' ILE . 3.1 m -70.09 -49.52 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.708 HG22 ' HG2' ' A' ' 778' ' ' MET . 13.4 t -55.55 -35.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -36.88 84.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.475 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.62 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 39.0 m-20 -72.53 -44.79 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 721' ' ' THR . 4.6 mt -71.0 -42.49 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 8.4 t -63.66 -47.94 79.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.781 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 21.5 pt-20 -56.47 -41.78 77.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.447 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 728' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 58.7 m -73.43 -32.74 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 110.445 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.58 -37.37 76.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.84 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -31.95 73.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -30.38 57.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.248 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.37 -11.14 78.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.042 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.88 41.21 2.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.731 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 64.6 5.71 18.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.841 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.486 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.4 ptmm? -153.64 133.59 13.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.495 0.647 . . . . 0.0 111.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.8 mp -156.69 156.24 33.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -93.85 168.62 10.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.821 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -45.06 29.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.44 -46.5 76.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.751 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.2 mm-40 -69.95 -45.94 66.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.32 -42.66 87.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.003 0.43 . . . . 0.0 110.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.9 ttm180 -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -62.88 -39.75 95.4 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.66 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 744' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.2 m-20 -67.95 -31.3 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.902 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.616 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -78.62 -40.84 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.328 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -39.04 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.251 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.74 62.4 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.37 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 -13.39 24.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.71 0.29 . . . . 0.0 111.208 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.51 4.29 28.61 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.62 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.9 m80 -79.39 133.84 36.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 14.8 p -80.47 154.02 27.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -58.0 -35.98 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.7 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -41.79 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.492 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.616 HG23 HD13 ' A' ' 745' ' ' LEU . 11.0 mt -67.28 -39.78 83.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -67.71 -33.93 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.46 64.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.227 0.537 . . . . 0.0 109.77 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.431 HD13 HD11 ' A' ' 725' ' ' ILE . 60.8 mt -61.57 -48.11 90.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.374 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.821 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.66 -42.95 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.265 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.2 t -68.52 -44.15 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.467 0.651 . . . . 0.0 110.021 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -58.53 -43.67 89.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.611 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 53.7 m-85 -86.12 -39.82 16.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 39.0 t0 -68.09 62.3 0.08 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.765 0.317 . . . . 0.0 111.372 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -57.59 -33.76 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.68 -12.59 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.311 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.59 42.86 78.01 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.032 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -90.76 14.14 14.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 111.278 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 12.5 mm100 56.16 21.61 5.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.584 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -146.07 142.16 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.039 0.447 . . . . 0.0 111.552 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.673 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.744 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.4 OUTLIER -119.85 171.33 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.229 0.537 . . . . 0.0 111.896 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 771' ' ' THR . 1.7 mt-10 -52.12 -33.23 38.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.12 -50.99 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.673 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.0 mt-10 -63.57 -39.69 95.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.743 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -68.67 -34.82 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 776' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 39.9 tp60 -56.93 -38.57 73.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.82 -31.43 70.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.191 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.708 ' HG2' HG22 ' A' ' 722' ' ' VAL . 5.0 ttp -56.91 -55.46 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.894 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 779' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 1.0 OUTLIER -62.32 -37.62 86.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.401 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -45.11 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -33.03 74.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.3 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.699 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -70.91 -35.86 72.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.564 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 179.438 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.876 0.369 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -23.64 33.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.232 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -67.39 -30.33 70.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.786 HG22 HD11 ' A' ' 725' ' ' ILE . 38.0 m -66.76 -49.39 66.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 0.0 110.666 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.5 t -55.61 -34.81 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.45 -45.74 90.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.434 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.586 ' CB ' ' CE1' ' A' ' 750' ' ' HIS . 0.6 OUTLIER -71.12 -46.67 61.22 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.059 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 721' ' ' THR . 6.9 mt -65.23 -47.84 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 23.1 t -57.22 -46.34 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -49.1 79.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.989 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 45.4 t -65.98 -32.68 74.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.485 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.7 -39.04 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 179.766 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -31.99 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -66.29 -31.15 71.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.479 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -91.87 -11.01 60.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.873 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.0 48.28 1.77 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.533 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.485 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 65.09 10.82 49.07 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.192 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 131.78 11.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.994 0.397 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.702 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.3 OUTLIER -157.58 153.34 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.77 165.31 12.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.137 0.494 . . . . 0.0 111.602 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.86 -47.42 31.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.055 -179.666 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -46.62 77.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.571 ' HB3' HD23 ' A' ' 736' ' ' LEU . 18.8 mt-10 -70.4 -45.87 65.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.702 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.4 tp -63.97 -45.38 89.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.351 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 755' ' ' ILE . 20.7 ttp180 -59.77 -44.03 94.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.367 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.9 -42.87 85.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.232 0.539 . . . . 0.0 109.762 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.26 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.255 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 755' ' ' ILE . 5.9 mt -76.49 -43.64 38.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.522 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -38.93 93.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.3 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.7 -11.29 57.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.694 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -11.24 21.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.28 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.29 4.12 29.07 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.922 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 724' ' ' ASP . 68.5 m80 -79.09 133.39 36.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.8 p -77.85 150.48 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.616 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.5 t70 -58.86 -38.54 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.73 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.71 -40.51 95.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 745' ' ' LEU . 8.7 mt -67.93 -40.39 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tp10 -66.31 -36.74 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.32 -50.14 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.111 0.482 . . . . 0.0 109.86 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.92 -46.71 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.829 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.65 -42.64 91.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.149 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.1 p -68.24 -44.34 75.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.493 0.664 . . . . 0.0 110.247 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -46.16 84.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.602 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 66.3 m-85 -85.92 -39.48 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.3 t70 -69.52 62.31 0.16 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.789 0.328 . . . . 0.0 111.308 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -64.22 -19.95 65.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.326 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -83.37 -14.0 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.07 29.46 62.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.881 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -90.13 11.09 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.298 . . . . 0.0 111.363 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 54.38 28.34 9.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.41 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -146.0 137.65 24.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 111.421 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.671 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.4 tp -108.7 127.81 54.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.508 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 44.0 p -123.81 178.42 5.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.379 0.609 . . . . 0.0 112.193 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -35.27 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.235 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -51.2 64.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.671 ' OE1' HD12 ' A' ' 770' ' ' LEU . 3.4 mt-10 -63.47 -40.19 96.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -66.32 -34.83 78.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 776' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 0.0 OUTLIER -56.86 -37.74 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -68.68 -31.37 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.62 ' HE1' HG21 ' A' ' 725' ' ' ILE . 32.7 ttm -56.98 -55.29 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.713 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 779' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER -65.57 -38.4 89.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.999 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -46.89 76.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.495 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.09 -28.98 64.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.435 -179.502 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 718' ' ' LYS . . . . . 0.694 ' C ' HD11 ' A' ' 782' ' ' LEU . 2.1 mppt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -59.62 -26.06 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.265 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.58 -34.27 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.168 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -68.29 -49.22 61.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.4 t -55.72 -34.9 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.414 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.51 -39.88 89.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.616 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 30.7 m-20 -72.09 -44.55 63.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 758' ' ' ILE . 4.0 mt -71.05 -37.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 12.3 t -65.95 -48.01 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.558 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -58.48 -48.88 79.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.017 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -32.68 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -69.78 -41.21 75.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.678 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -31.99 72.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.735 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.27 -26.58 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -78.63 -11.13 85.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.979 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.77 29.75 6.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.604 -0.807 . . . . 0.0 113.168 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.829 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 89.46 -40.78 3.03 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.324 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.686 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.7 ptpt -127.38 147.81 50.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 111.214 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.897 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.5 mp -157.34 155.47 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.07 165.31 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.826 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.7 -44.66 27.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.579 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.52 -46.65 75.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 0.8 OUTLIER -70.3 -45.97 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.087 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.3 tp -66.0 -43.55 87.38 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.15 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.8 ttp-105 -60.74 -44.05 97.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 4.2 pt20 -63.07 -38.42 91.12 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.864 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 744' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.5 OUTLIER -69.88 -31.52 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.071 178.697 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.511 HD13 HG12 ' A' ' 755' ' ' ILE . 6.8 mt -78.69 -42.22 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.431 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -38.91 92.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.294 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.97 -11.41 54.65 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.607 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -10.93 24.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.581 0.229 . . . . 0.0 111.249 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.25 29.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.004 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.616 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.7 m80 -80.45 135.04 36.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.4 p -77.98 150.51 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -59.58 -38.42 81.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.57 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -42.82 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.2 mt -65.33 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -65.8 -36.69 84.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.06 65.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.142 0.496 . . . . 0.0 109.884 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.745 HD13 HD11 ' A' ' 725' ' ' ILE . 65.5 mt -61.33 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.826 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.0 OUTLIER -65.69 -42.74 90.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.057 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 756' ' ' GLU . 44.1 p -68.37 -44.24 75.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 109.945 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -57.48 -44.02 84.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.488 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 57.3 m-85 -86.13 -39.82 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 25.0 t0 -69.67 62.22 0.17 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.733 0.301 . . . . 0.0 111.322 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.17 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.43 -14.05 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.338 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.9 47.69 58.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.021 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.64 20.34 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 2.6 mp0 55.05 20.93 3.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.519 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -146.13 141.47 27.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.591 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.9 tp -106.46 127.22 53.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.643 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 7.0 m -110.95 160.34 16.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.155 0.502 . . . . 0.0 111.817 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -47.99 -31.55 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.07 -47.11 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE1' HD12 ' A' ' 770' ' ' LEU . 6.5 mt-10 -63.01 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -66.43 -34.86 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.35 -36.17 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.679 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.27 -31.37 70.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.809 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 722' ' ' VAL . 3.9 ttp -56.83 -46.49 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 779' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 722' ' ' VAL . 2.5 mtt-85 -65.56 -44.61 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -46.91 75.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.419 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -47.51 85.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.362 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.694 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -60.32 -34.58 74.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.51 -179.582 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.5 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -23.16 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.53 -43.12 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.8 OUTLIER -65.44 -34.01 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.529 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.985 HG21 HD12 ' A' ' 782' ' ' LEU . 74.8 t -71.07 -48.38 55.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.016 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -30.29 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.333 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.506 ' OD2' HD22 ' A' ' 745' ' ' LEU . 17.1 t0 -65.1 -48.84 72.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.595 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.816 HD13 ' CE ' ' A' ' 778' ' ' MET . 6.8 mt -71.21 -44.52 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.347 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 726' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' A' ' 775' ' ' HIS . 0.9 OUTLIER -56.81 -47.88 79.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.418 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -57.54 -49.22 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.646 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 728' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 42.1 m -67.11 -32.83 74.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.784 0.326 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.824 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.57 -39.39 77.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -32.26 73.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.082 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.08 74.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.05 7.18 67.02 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.972 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 87.52 48.6 4.19 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.621 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.618 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.82 19.28 9.98 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.327 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -153.61 125.35 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.9 0.35 . . . . 0.0 110.88 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 729' ' ' LEU . 4.1 mp -157.53 159.99 37.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.057 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -100.15 170.78 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.471 . . . . 0.0 111.378 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.843 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.85 -52.02 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.816 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.16 -46.53 90.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.639 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.0 mt-10 -69.82 -45.87 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.003 0.43 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.68 ' HG2' HD13 ' A' ' 755' ' ' ILE . 3.1 tmm_? -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.763 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.9 pt20 -59.75 -41.48 91.07 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 744' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.7 OUTLIER -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.904 178.374 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 755' ' ' ILE . 13.1 mt -77.44 -41.87 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.678 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.37 -38.95 93.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.444 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -11.8 59.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.741 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -11.05 30.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.56 32.97 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 750' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -85.1 140.65 30.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.663 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 159.27 20.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.251 0.548 . . . . 0.0 111.395 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.669 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -61.61 -37.91 85.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.992 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.81 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.29 -41.17 98.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.68 HD13 ' HG2' ' A' ' 742' ' ' ARG . 8.9 mt -66.56 -50.12 69.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.329 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 760' ' ' THR . 2.8 mt-10 -61.05 -34.05 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.538 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.45 -50.52 51.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 0.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 725' ' ' ILE . 48.2 mt -59.95 -45.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.033 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.843 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.87 -41.42 91.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.154 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.8 p -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.137 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -57.22 -48.51 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.876 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 778' ' ' MET . 54.1 m-85 -86.07 -38.11 18.16 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 7.0 t70 -70.22 62.22 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.979 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.3 -31.85 70.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.277 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -73.26 -11.11 60.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.423 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.51 31.9 52.45 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.76 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 45.1 p30 -89.51 8.75 29.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.652 0.263 . . . . 0.0 111.262 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 55.7 29.67 14.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.352 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -146.04 132.84 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 111.391 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.722 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.7 tp -105.62 124.91 50.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.959 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.68 HG22 ' HG2' ' A' ' 735' ' ' LYS . 23.6 p -121.59 173.81 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.259 0.552 . . . . 0.0 112.03 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.08 -33.12 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.94 -50.1 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.722 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.2 mt-10 -62.87 -39.86 95.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.484 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 22.2 t60 -66.09 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -30.66 63.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.636 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -68.09 -31.25 70.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.539 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.816 ' CE ' HD13 ' A' ' 725' ' ' ILE . 1.5 mmt -56.81 -48.2 78.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.255 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.53 94.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -44.88 83.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.13 -35.75 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.366 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.985 HD12 HG21 ' A' ' 722' ' ' VAL . 0.6 OUTLIER -71.12 -35.4 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.394 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.726 -179.302 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -56.21 -31.01 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.2 -39.2 82.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.826 HG21 HD11 ' A' ' 758' ' ' ILE . 3.3 m -73.66 -49.39 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 725' ' ' ILE . 60.2 t -55.45 -40.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.924 0.392 . . . . 0.0 110.278 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.595 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 19.0 m-20 -62.93 -42.5 99.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.465 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 758' ' ' ILE . 3.9 mt -70.91 -37.75 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.537 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 6.0 p -58.18 -44.66 88.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.191 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -49.21 72.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.5 m -62.55 -32.64 73.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.62 -37.96 77.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -31.94 67.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -40.05 95.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.29 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.672 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -78.93 -11.08 85.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.923 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.79 41.79 2.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.814 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.69 -51.46 4.56 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.195 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -102.48 141.65 34.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 111.471 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.672 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.3 OUTLIER -157.43 148.68 21.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.528 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.01 164.64 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.642 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.864 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.82 -46.62 31.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.924 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.547 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.1 mt-10 -69.42 -45.9 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.6 tp -64.51 -44.11 91.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.1 0.476 . . . . 0.0 110.304 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 755' ' ' ILE . 6.7 ttm180 -59.48 -44.44 93.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.02 -45.36 87.05 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.23 0.538 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -31.27 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.241 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 755' ' ' ILE . 6.6 mt -77.49 -40.8 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.528 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -39.1 93.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.67 -14.42 69.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.432 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 -13.64 29.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.684 0.278 . . . . 0.0 111.244 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 4.63 28.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 52.0 m80 -81.87 135.29 35.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.23 155.86 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -59.13 -37.38 77.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.954 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.42 90.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.22 -41.4 94.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.688 HG23 HD13 ' A' ' 745' ' ' LEU . 7.0 mt -67.78 -40.34 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.35 -34.7 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.7 -50.08 59.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 109.731 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 721' ' ' THR . 72.2 mt -61.28 -46.89 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.391 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.864 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.7 m-85 -66.04 -42.98 88.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.454 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.89 -44.46 73.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.246 0.545 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 761' ' ' LYS . . . . . 0.479 ' HG3' ' CD2' ' A' ' 762' ' ' TYR . 5.0 ptpt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.947 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.479 ' CD2' ' HG3' ' A' ' 761' ' ' LYS . 49.8 m-85 -86.35 -37.9 18.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 43.9 t0 -68.66 62.27 0.1 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.176 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.34 -44.74 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.251 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.0 -13.21 61.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.3 44.87 58.36 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.011 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -95.7 20.74 9.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 38.2 mm-40 50.92 25.95 2.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.484 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.99 136.04 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 111.523 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -108.22 127.08 53.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.461 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 41.3 p -115.4 162.6 16.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.22 0.533 . . . . 0.0 111.861 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -29.86 4.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.955 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.0 -47.74 70.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -62.85 -38.96 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 778' ' ' MET . 28.0 t-80 -67.83 -34.82 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -56.74 -31.28 64.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.54 -31.21 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.482 ' CE ' HD13 ' A' ' 725' ' ' ILE . 0.0 OUTLIER -56.71 -48.8 76.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.57 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -47.05 74.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.216 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.81 -43.0 94.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.209 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -36.32 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.292 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.904 179.864 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.738 0.304 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 782' ' ' LEU . 12.6 tttt -59.17 -25.73 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.91 -25.63 66.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.538 HG23 HD13 ' A' ' 758' ' ' ILE . 56.3 m -70.82 -49.71 43.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 782' ' ' LEU . 28.0 t -55.73 -35.0 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.039 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 723' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 727' ' ' GLU . 0.8 OUTLIER -61.48 -45.93 92.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.671 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.64 ' CB ' ' CE1' ' A' ' 750' ' ' HIS . 0.6 OUTLIER -67.99 -41.31 82.51 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.693 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 745' ' ' LEU . 16.6 mm -70.86 -37.77 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.427 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 726' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 775' ' ' HIS . 36.0 t -59.65 -47.88 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.721 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 723' ' ' ASP . 1.3 mt-10 -62.14 -49.43 75.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 111.24 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 35.7 t -61.57 -35.71 78.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.381 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.838 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.82 -39.11 76.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 111.13 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -67.81 -31.93 72.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.65 -31.51 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.681 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.08 0.73 62.44 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.226 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.04 46.9 2.75 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.385 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.574 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 55.44 17.11 11.69 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.216 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 735' ' ' LYS . . . . . 0.631 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.5 7.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.813 0.307 . . . . 0.0 110.863 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.844 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.5 mp -155.33 157.59 37.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -96.85 168.73 10.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 0.0 111.347 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.855 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.81 -47.48 31.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.008 -179.482 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.27 -45.75 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.576 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.5 mt-10 -70.61 -45.94 64.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.037 0.446 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 39.8 ttp180 -61.79 -45.11 95.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.106 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.2 pt20 -61.8 -39.37 91.5 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.6 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 744' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 748' ' ' LYS . 0.9 OUTLIER -68.47 -31.16 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.97 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 725' ' ' ILE . 7.0 mt -77.48 -42.36 36.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.541 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -63.78 -9.11 31.36 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.16 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 748' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 744' ' ' ASP . 9.8 mmmm -104.5 -9.46 18.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.898 0.349 . . . . 0.0 111.442 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.02 33.44 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.64 ' CE1' ' CB ' ' A' ' 724' ' ' ASP . 62.0 m80 -75.29 131.44 40.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.681 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.8 p -74.6 145.48 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.067 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -57.73 -39.69 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.1 82.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.03 -39.58 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.0 mt -67.68 -40.58 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.84 -36.16 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.95 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 109.583 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.538 HD13 HG23 ' A' ' 721' ' ' THR . 42.5 mt -60.83 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.439 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.855 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.79 -42.99 90.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.59 -44.38 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.469 0.652 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -57.6 -44.88 85.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.599 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 762' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.03 -39.84 16.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 5.7 t70 -69.91 62.22 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.245 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -20.94 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -82.26 -13.96 56.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.392 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.21 30.9 61.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -91.29 12.91 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 52.46 27.62 5.15 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.453 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.07 138.29 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.975 0.417 . . . . 0.0 111.395 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.662 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -109.97 128.09 55.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.713 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 20.0 p -121.12 174.28 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.318 0.58 . . . . 0.0 111.892 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -29.5 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.312 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -51.23 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.662 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.9 mt-10 -62.94 -37.39 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.563 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 775' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 726' ' ' SER . 0.5 OUTLIER -68.58 -34.57 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -47.14 80.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 777' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 778' ' ' MET . 0.0 OUTLIER -64.19 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.578 ' HG2' HG22 ' A' ' 722' ' ' VAL . 38.8 ttm -56.93 -52.85 63.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -42.95 99.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.777 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -45.14 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.7 -35.98 77.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -66.05 -35.83 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.19 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.1 tptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 719' ' ' LYS . . . . . 0.489 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -58.99 -20.68 55.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -71.67 -29.99 65.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 721' ' ' THR . . . . . 0.672 HG22 HD11 ' A' ' 725' ' ' ILE . 2.1 m -73.62 -49.5 25.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 722' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 778' ' ' MET . 20.8 t -55.73 -35.08 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.285 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -37.35 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.412 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 724' ' ' ASP . . . . . 0.633 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 48.2 m-20 -71.52 -47.59 54.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.672 HD11 HG22 ' A' ' 721' ' ' THR . 4.0 mt -70.9 -37.94 70.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.013 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 31.9 t -64.53 -47.86 77.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 727' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.7 pt-20 -59.08 -49.19 78.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.724 0.297 . . . . 0.0 111.025 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.1 m -68.08 -32.53 72.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.026 0.441 . . . . 0.0 110.33 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 729' ' ' LEU . . . . . 0.791 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -68.6 -41.11 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.586 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -31.89 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -31.32 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.285 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 732' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -80.84 -11.21 84.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.063 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.45 35.29 5.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.237 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 734' ' ' GLY . . . . . 0.791 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.02 -47.01 3.62 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.434 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -111.88 133.11 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 736' ' ' LEU . . . . . 0.796 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.8 OUTLIER -149.85 149.28 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.761 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -93.62 166.82 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 738' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.59 -44.39 26.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.864 -179.439 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.23 -46.63 73.22 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -70.48 -46.03 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.521 0.564 . . . . 0.0 112.521 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.4 tp -65.42 -45.51 83.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.229 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 742' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.4 OUTLIER -58.76 -44.04 90.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.231 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.12 -44.53 87.79 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.152 0.501 . . . . 0.0 109.917 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.02 -31.45 72.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.26 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.668 HD13 HG23 ' A' ' 755' ' ' ILE . 9.4 mt -77.29 -41.07 42.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.569 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -39.18 93.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.176 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.57 -13.7 61.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.526 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -93.76 -13.79 26.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 111.257 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.48 8.79 24.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.978 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 750' ' ' HIS . . . . . 0.633 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 71.3 m80 -82.78 135.21 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.8 p -80.68 155.66 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 752' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -59.4 -36.99 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.6 92.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.19 -42.89 83.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 755' ' ' ILE . . . . . 0.668 HG23 HD13 ' A' ' 745' ' ' LEU . 6.7 mt -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 756' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -67.72 -36.0 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.84 -50.15 63.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.111 0.482 . . . . 0.0 109.896 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 758' ' ' ILE . . . . . 0.642 HD13 HD11 ' A' ' 725' ' ' ILE . 67.6 mt -60.35 -45.81 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 759' ' ' PHE . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.63 -41.55 92.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.947 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 760' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 756' ' ' GLU . 19.4 p -68.35 -44.15 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.519 0.676 . . . . 0.0 109.971 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -44.89 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.745 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 762' ' ' TYR . . . . . 0.443 ' CE2' ' HE2' ' A' ' 778' ' ' MET . 64.0 m-85 -86.11 -40.08 16.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 763' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.5 t70 -69.63 62.26 0.17 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.834 0.349 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -20.91 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.268 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -82.21 -14.15 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.358 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.94 30.35 60.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.808 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.22 16.57 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 768' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 28.1 mm-40 50.29 29.73 3.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -145.52 135.39 23.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.074 0.464 . . . . 0.0 111.595 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.752 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -106.58 126.47 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.576 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 771' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 772' ' ' GLU . 1.1 m -118.61 168.79 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.0 112.059 -178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 771' ' ' THR . 0.7 OUTLIER -49.46 -31.03 9.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.932 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.04 -49.47 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 774' ' ' GLU . . . . . 0.752 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.8 mt-10 -62.84 -40.9 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -65.93 -34.83 79.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.842 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -58.52 -40.88 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.73 -31.38 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 778' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 725' ' ' ILE . 29.4 ttm -56.93 -45.64 82.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -65.01 -44.47 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.85 -46.9 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.62 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.489 HD21 ' N ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -71.02 -36.22 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -119.38 -76.36 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 -53.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.749 HD12 ' OE1' ' A' ' 785' ' ' GLU . 0.3 OUTLIER -130.45 151.05 51.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.674 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 131.14 51.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -26.72 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -65.65 -39.97 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.843 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -62.23 -49.32 76.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.79 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 782' ' ' LEU . 16.1 t -55.37 -37.68 45.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.532 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.598 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 32.6 m-20 -68.3 -45.19 73.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.72 HD11 HD13 ' A' ' 758' ' ' ILE . 4.7 mt -70.99 -37.76 69.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 7.4 t -62.06 -48.0 82.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.627 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.0 pt-20 -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 29.6 t -63.85 -33.4 75.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.226 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -37.47 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.67 -32.02 69.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -85.78 -11.03 74.85 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.957 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.31 41.36 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 63.13 11.49 39.2 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.288 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.5 OUTLIER -153.65 130.11 10.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.97 0.385 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.807 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.4 mp -156.88 154.74 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.788 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -96.1 167.81 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.845 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.75 -46.32 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.759 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -46.44 78.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.8 mt-10 -69.8 -45.94 66.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.28 -41.54 89.68 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.092 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.1 ttm-85 -61.39 -45.08 95.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.3 pt20 -62.09 -41.22 97.97 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.756 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 744' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.1 OUTLIER -67.25 -31.22 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.963 178.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.69 HD13 HG23 ' A' ' 755' ' ' ILE . 7.2 mt -77.69 -42.71 33.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.356 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -38.91 93.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.303 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.04 -11.91 59.35 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.556 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -11.44 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 111.278 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.5 4.16 28.68 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.998 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 71.9 m80 -78.08 132.18 37.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.6 p -78.63 151.87 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.542 ' HA ' HD12 ' A' ' 755' ' ' ILE . 3.4 t70 -58.53 -39.68 80.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.02 83.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.82 99.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.69 HG23 HD13 ' A' ' 745' ' ' LEU . 7.1 mt -66.32 -41.18 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 760' ' ' THR . 1.0 OUTLIER -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.04 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.13 64.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.141 0.496 . . . . 0.0 109.829 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.843 HD11 HG21 ' A' ' 721' ' ' THR . 65.3 mt -61.33 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.845 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.67 -42.71 90.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.065 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 756' ' ' GLU . 33.4 p -68.48 -44.19 75.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.56 0.695 . . . . 0.0 110.015 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -47.73 78.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.739 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.626 ' OH ' HD22 ' A' ' 717' ' ' LEU . 71.2 m-85 -85.94 -37.16 19.35 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.2 t70 -69.49 62.26 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.873 0.368 . . . . 0.0 111.073 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -63.07 -27.03 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.33 -11.27 59.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.399 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.54 29.94 58.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.786 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -91.02 10.6 26.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.254 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 53.45 29.81 9.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.387 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.95 135.14 24.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.389 . . . . 0.0 111.399 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -107.29 125.81 51.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.833 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.6 OUTLIER -119.65 171.07 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.271 0.557 . . . . 0.0 111.884 -179.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.459 ' H ' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -49.96 -32.61 15.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.027 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -50.08 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.722 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.732 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.2 mt-10 -62.81 -40.36 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.65 -34.79 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -56.81 -43.82 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.697 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -60.23 -31.26 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.774 ' SD ' HG13 ' A' ' 722' ' ' VAL . 38.2 ttm -56.84 -53.15 61.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -63.44 -40.56 97.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.93 76.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 784' ' ' LYS . 0.9 OUTLIER -64.75 -31.37 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.61 -35.96 70.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.617 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 783' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 787' ' ' GLU . 9.0 pt-20 -76.72 -33.55 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 784' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 781' ' ' ASP . 0.1 OUTLIER -66.75 -23.59 66.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 785' ' ' GLU . . . . . 0.749 ' OE1' HD12 ' A' ' 717' ' ' LEU . 13.3 mt-10 -97.24 -53.62 3.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.531 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' ARG . . . . . 0.643 ' HG2' HD23 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -91.96 6.54 45.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.407 -178.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 787' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 783' ' ' GLU . 0.1 OUTLIER -141.7 149.05 40.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.279 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.96 -2.09 2.88 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.875 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 789' ' ' LEU . . . . . 0.533 HD22 ' CG ' ' A' ' 792' ' ' ASP . 1.8 mt -165.97 168.81 15.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 111.093 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.28 -81.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.02 -16.33 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.225 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.533 ' CG ' HD22 ' A' ' 789' ' ' LEU . 2.1 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 179.68 -173.54 45.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 -48.01 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.578 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.6 OUTLIER -134.06 155.61 49.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.688 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.32 129.44 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.776 ' HB3' HD21 ' A' ' 782' ' ' LEU . 5.9 pttt -55.64 -25.98 42.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -61.05 -49.64 76.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 758' ' ' ILE . 0.1 OUTLIER -58.36 -46.69 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.754 HG22 ' HG2' ' A' ' 778' ' ' MET . 17.3 t -55.37 -42.75 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.003 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.4 OUTLIER -59.73 -46.3 89.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.61 ' CB ' ' CE1' ' A' ' 750' ' ' HIS . 0.3 OUTLIER -63.53 -41.17 98.49 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.43 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 758' ' ' ILE . 20.2 mt -70.94 -37.72 69.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 10.3 p -57.65 -47.99 80.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.891 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 0.8 OUTLIER -68.29 -49.55 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.206 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -36.7 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.83 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.712 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.52 -31.95 72.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.447 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 731' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 727' ' ' GLU . 9.9 mm-40 -60.18 -37.61 80.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.94 7.09 67.25 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.154 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 89.58 48.85 3.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.39 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.651 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 52.58 22.94 12.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.024 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 23.6 mttt -153.58 125.78 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.841 ' HB2' HD13 ' A' ' 741' ' ' LEU . 2.8 mp -157.52 157.74 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -96.54 169.37 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.84 -47.85 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -44.97 83.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.795 ' HB3' HD23 ' A' ' 736' ' ' LEU . 3.2 mt-10 -69.7 -45.88 67.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.9 tp -67.04 -39.21 86.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 0.0 109.847 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 16.6 ttm-85 -62.15 -47.02 86.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.98 -41.83 97.17 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.63 -31.26 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.719 HD13 HG12 ' A' ' 755' ' ' ILE . 8.6 mt -79.09 -38.86 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.523 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -39.23 93.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.313 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.27 -14.32 68.67 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.538 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' LYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 10.0 mptt -90.5 -13.22 35.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.408 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.71 5.83 33.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 724' ' ' ASP . 30.7 m80 -84.17 140.02 32.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 110.674 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.06 163.25 17.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.477 . . . . 0.0 111.58 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 755' ' ' ILE . 7.8 m-20 -62.54 -34.98 78.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.39 . . . . 0.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.73 -42.2 82.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.719 HG12 HD13 ' A' ' 745' ' ' LEU . 7.4 mt -66.43 -42.8 90.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.13 -36.92 80.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 761' ' ' LYS . . . -65.81 -50.33 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.236 0.541 . . . . 0.0 110.034 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 721' ' ' THR . 79.3 mt -60.73 -44.93 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.283 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.85 -42.81 90.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.403 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 757' ' ' ALA . 14.3 t -68.51 -44.36 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.399 0.618 . . . . 0.0 110.325 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 761' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 757' ' ' ALA . 1.2 tmtm? -56.38 -47.86 78.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.591 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.578 ' OH ' HD22 ' A' ' 717' ' ' LEU . 69.9 m-85 -85.92 -35.56 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 51.0 t0 -68.89 62.22 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.62 -42.2 87.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.92 -13.25 61.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.339 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.21 37.47 72.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.883 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -88.65 10.16 21.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.26 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER 56.81 28.15 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.249 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -145.97 135.5 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.863 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -105.38 124.73 50.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.576 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 170.35 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.313 0.578 . . . . 0.0 112.08 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -48.07 -33.67 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.46 -49.13 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.863 ' OE1' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.94 -41.91 99.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -63.57 -35.38 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -34.62 68.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 777' ' ' GLN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -59.48 -36.36 75.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.539 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.754 ' HG2' HG22 ' A' ' 722' ' ' VAL . 2.9 ttm -56.9 -55.01 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -44.6 84.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.425 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -46.94 77.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.51 ' OD2' HD11 ' A' ' 717' ' ' LEU . 0.5 OUTLIER -65.06 -33.33 75.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.288 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -71.21 -33.72 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -76.59 -28.95 56.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 781' ' ' ASP . 5.8 ptpt -68.57 -31.4 70.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.397 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 785' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 781' ' ' ASP . 26.5 mm-40 -79.29 -54.04 6.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.235 0.54 . . . . 0.0 110.235 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.6 82.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.045 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.0 135.71 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.95 28.31 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.69 160.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.97 -31.96 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.83 -39.43 24.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.909 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -111.66 -125.29 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.55 -59.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.652 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.4 OUTLIER -133.77 155.85 49.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.658 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -99.2 124.89 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -56.94 -26.88 60.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.7 -40.78 97.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.875 HG21 HD11 ' A' ' 758' ' ' ILE . 0.0 OUTLIER -63.07 -49.25 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 782' ' ' LEU . 21.2 t -55.65 -40.54 60.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.89 -41.29 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.612 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 14.5 m-20 -69.54 -44.63 70.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.808 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.755 HD11 HD13 ' A' ' 758' ' ' ILE . 5.2 mt -70.88 -37.73 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 18.7 t -62.85 -45.21 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.18 78.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 18.2 m -67.28 -32.53 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.314 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.803 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.6 tm? -67.02 -40.38 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.707 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -68.53 -31.84 71.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.17 -32.44 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.376 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.741 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -79.6 -11.06 85.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.06 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.36 35.17 6.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.988 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.803 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 86.49 -47.13 3.69 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.413 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.797 ' CG ' HG22 ' A' ' 771' ' ' THR . 1.7 ttpt -102.38 135.26 44.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.294 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -155.42 143.65 20.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.98 166.95 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.805 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -46.16 30.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.927 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.35 -46.55 76.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.626 ' HB3' HD23 ' A' ' 736' ' ' LEU . 16.7 mt-10 -70.18 -46.03 65.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.8 tp -65.35 -43.34 91.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 0.0 110.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 17.1 ttp180 -60.0 -44.74 94.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.469 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -58.26 -45.86 87.05 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.176 0.512 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -31.13 72.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 755' ' ' ILE . 6.7 mt -78.42 -43.51 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.679 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -63.33 -39.08 93.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.324 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -70.11 -8.85 62.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.594 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -10.03 25.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.581 0.229 . . . . 0.0 111.266 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 2.18 29.1 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.612 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 55.2 m80 -82.98 136.85 34.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.62 156.21 25.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.6 p-10 -60.48 -37.24 80.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.18 87.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.2 -42.48 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.657 HG23 HD13 ' A' ' 745' ' ' LEU . 6.9 mt -66.88 -39.41 83.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.993 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.31 -36.14 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.19 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 109.943 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.875 HD11 HG21 ' A' ' 721' ' ' THR . 63.0 mt -60.3 -44.75 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.188 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.4 m-85 -65.62 -42.1 91.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.918 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 15.4 p -68.27 -44.12 76.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.403 0.62 . . . . 0.0 110.206 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -57.42 -46.22 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.687 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.652 ' OH ' HD22 ' A' ' 717' ' ' LEU . 74.5 m-85 -86.06 -38.66 17.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -69.31 62.18 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -63.15 -29.28 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.256 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -74.53 -10.42 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.538 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 53.71 33.2 48.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.949 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -98.09 12.77 33.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 64.4 mm-40 49.84 36.52 11.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.438 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.29 126.7 14.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.96 0.41 . . . . 0.0 111.361 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.68 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -106.44 124.3 49.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.814 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.797 HG22 ' CG ' ' A' ' 735' ' ' LYS . 71.5 p -124.38 177.87 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.354 0.597 . . . . 0.0 111.878 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -52.23 -31.84 34.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.1 -51.17 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.736 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.68 ' OE2' HD12 ' A' ' 770' ' ' LEU . 3.0 mt-10 -63.01 -39.26 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.34 -34.62 76.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -56.81 -42.38 79.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.653 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.47 -31.32 69.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.597 ' SD ' HG13 ' A' ' 722' ' ' VAL . 28.6 ttm -56.88 -49.97 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.794 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -41.94 98.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.84 -46.91 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -70.79 -31.39 68.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.69 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.07 -30.62 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.25 -36.46 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.539 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 87.69 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.36 75.85 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 178.49 -36.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 5.3 mp -84.91 90.09 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.85 22.32 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.3 -35.5 80.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.778 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.885 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 150.94 -95.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.7 m 71.87 9.58 6.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.717 0.294 . . . . 0.0 111.428 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.885 HD12 ' HA ' ' A' ' 782' ' ' LEU . 48.3 mt 55.61 162.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.436 0.636 . . . . 0.0 111.891 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 718' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 722' ' ' VAL . 0.0 OUTLIER -136.97 112.71 9.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.39 178.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -31.71 61.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.91 -49.6 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.845 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -66.85 -41.47 87.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 110.768 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 782' ' ' LEU . 94.2 t -55.44 -47.74 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.1 OUTLIER -61.38 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.584 179.535 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -59.34 -43.39 92.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.912 HD11 HD13 ' A' ' 758' ' ' ILE . 4.9 mt -70.95 -37.64 68.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.52 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.4 t -55.4 -47.88 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 1.0 OUTLIER -63.0 -49.39 74.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.068 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.0 t -61.95 -34.26 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.352 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.803 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.56 -38.91 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.65 -31.91 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -70.89 -36.77 72.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.708 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.99 -11.06 85.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.847 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 102.83 36.13 3.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.833 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.5 -52.49 4.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.958 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.48 136.88 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.341 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 729' ' ' LEU . 1.6 mp -155.41 154.0 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.667 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -108.94 175.5 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 111.633 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.789 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.61 -52.16 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.802 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 739' ' ' ASP . . . . . 0.401 ' HA ' ' NH1' ' A' ' 742' ' ' ARG . 9.2 m-20 -63.32 -47.09 83.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.446 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.8 OUTLIER -71.04 -46.23 62.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.719 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.1 tp -66.18 -42.84 88.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.997 0.427 . . . . 0.0 110.203 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 755' ' ' ILE . 12.8 ttm105 -60.56 -44.76 95.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.276 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -57.96 -45.5 86.58 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.072 0.463 . . . . 0.0 110.044 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -31.26 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.616 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 750' ' ' HIS . 5.8 mt -78.92 -38.79 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.803 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -63.39 -39.02 93.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.238 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -64.83 -14.12 57.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.473 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -14.06 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.525 0.203 . . . . 0.0 111.251 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.97 8.81 25.37 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.051 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 745' ' ' LEU . 92.3 m-70 -78.28 132.17 37.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 8.3 p -81.02 153.0 27.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.796 ' HA ' HD12 ' A' ' 755' ' ' ILE . 6.5 t70 -59.46 -38.28 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.986 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -39.39 89.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.637 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.3 mt -68.09 -40.06 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -36.71 80.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.15 -50.19 64.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.226 0.536 . . . . 0.0 109.816 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.912 HD13 HD11 ' A' ' 725' ' ' ILE . 59.5 mt -61.19 -47.64 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.47 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.818 ' HD1' HD22 ' A' ' 770' ' ' LEU . 0.8 OUTLIER -65.99 -42.52 89.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.473 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.8 t -68.16 -44.22 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.467 0.651 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -56.67 -48.54 77.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 778' ' ' MET . 68.2 m-85 -86.03 -37.37 18.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 15.7 t70 -68.11 62.22 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.17 -25.06 67.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.306 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -76.06 -11.67 59.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 62.56 27.35 69.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.843 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -97.72 15.91 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.648 0.261 . . . . 0.0 111.271 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 46.31 34.68 2.33 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.461 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.61 139.28 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.818 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.9 tp -118.12 135.64 54.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.545 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 46.5 p -124.79 176.15 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 112.028 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.62 -41.49 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.68 -51.08 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.402 ' CD ' HD12 ' A' ' 770' ' ' LEU . 46.0 mt-10 -62.95 -42.71 99.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -65.83 -34.75 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.77 -31.81 65.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.433 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.599 ' SD ' HG22 ' A' ' 722' ' ' VAL . 30.2 ttm -56.8 -45.79 82.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -44.56 88.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -46.9 76.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 717' ' ' LEU . 1.1 t70 -57.79 -41.61 82.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.885 ' HA ' HD12 ' A' ' 717' ' ' LEU . 0.4 OUTLIER -59.39 -36.85 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -69.94 -27.21 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.23 -28.0 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.93 -44.41 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -126.39 93.97 3.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 39.33 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -167.13 68.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 2.4 tt -132.56 92.45 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 13.8 p-10 -84.67 1.08 47.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.517 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 791' ' ' LEU . 1.0 OUTLIER 32.82 69.63 0.12 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.901 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -177.7 120.6 0.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 8.3 m -61.52 147.95 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.647 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.3 OUTLIER -132.84 153.36 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.96 133.98 51.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 782' ' ' LEU . 3.8 mtmp? -58.51 -22.12 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -72.15 -30.48 65.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.657 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.58 -49.71 24.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.915 0.388 . . . . 0.0 111.003 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.472 HG21 HD12 ' A' ' 782' ' ' LEU . 21.0 t -55.64 -35.02 37.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.335 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.55 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.614 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 23.6 m-20 -66.3 -44.03 84.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.786 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.583 HD11 HD13 ' A' ' 758' ' ' ILE . 6.0 mt -70.76 -46.16 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 726' ' ' SER . . . . . 0.443 ' CA ' ' CE1' ' A' ' 775' ' ' HIS . 1.5 t -58.82 -37.08 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.32 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 74.9 m -68.14 -32.71 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.593 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.661 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.5 -37.49 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -32.02 73.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.16 -27.67 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.743 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.0 -11.11 79.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 100.18 39.01 3.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.58 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.61 5.02 28.14 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.591 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.554 ' C ' HD12 ' A' ' 736' ' ' LEU . 15.1 pttt -153.71 132.05 12.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.281 0.54 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.892 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.0 mp -155.84 157.67 36.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.777 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -97.13 169.66 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.242 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.806 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -45.51 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.779 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -46.55 72.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.517 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.6 mm-40 -69.72 -46.24 66.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.892 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.43 -42.94 91.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.983 0.42 . . . . 0.0 110.116 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.0 OUTLIER -60.36 -43.58 96.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.698 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 744' ' ' ASP . 0.3 OUTLIER -62.82 -36.41 83.09 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.793 179.292 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 744' ' ' ASP . . . . . 0.531 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 3.3 m-20 -72.17 -31.34 65.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.024 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.662 HD13 HG23 ' A' ' 755' ' ' ILE . 6.9 mt -78.09 -44.02 27.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.423 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.89 92.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.312 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.38 -11.33 59.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.563 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.26 -10.65 23.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.566 0.222 . . . . 0.0 111.253 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 3.18 29.1 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.6 m80 -78.86 133.37 37.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.4 p -79.38 152.97 30.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.57 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.1 p-10 -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.83 80.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.662 HG23 HD13 ' A' ' 745' ' ' LEU . 7.7 mt -67.49 -41.54 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 760' ' ' THR . 40.8 tt0 -65.13 -36.58 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.954 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.0 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 109.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 721' ' ' THR . 88.2 mt -60.81 -46.06 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.309 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.806 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.3 m-85 -65.61 -42.71 91.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.142 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 756' ' ' GLU . 30.6 p -68.46 -44.19 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.484 0.659 . . . . 0.0 110.065 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -57.79 -44.91 86.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.615 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.647 ' OH ' HD22 ' A' ' 717' ' ' LEU . 59.7 m-85 -86.08 -35.97 19.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 60.2 t0 -67.31 62.42 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.264 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 764' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 762' ' ' TYR . 8.3 pt20 -60.66 -41.49 95.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -71.95 -10.13 59.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.321 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.37 35.1 60.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.74 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -90.36 10.94 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.631 0.253 . . . . 0.0 111.206 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 52.95 29.21 7.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.321 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -144.79 134.93 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 111.349 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 770' ' ' LEU . 3.7 tp -109.59 126.46 53.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.675 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 55.7 p -127.3 -179.43 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.289 0.566 . . . . 0.0 111.852 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 -38.35 56.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.37 -51.38 67.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.42 -39.16 93.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 15.5 t60 -68.07 -34.82 77.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -59.64 -34.59 73.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -64.91 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 2.8 mtt -56.81 -47.27 80.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.68 85.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -47.06 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.563 ' OD2' HD11 ' A' ' 717' ' ' LEU . 1.5 t70 -60.37 -41.1 93.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.7 OUTLIER -56.85 -41.03 77.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.229 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -68.48 -27.83 66.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -68.13 -31.94 71.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.586 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.13 -49.59 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -117.17 100.75 7.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -76.6 174.79 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -68.61 -40.57 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 4.4 mt 60.4 -84.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.5 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 11.8 mt 62.3 68.16 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.933 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 715' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 717' ' ' LEU . . . -109.88 39.6 2.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 716' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 717' ' ' LEU . 67.0 m 62.7 -71.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.672 0.272 . . . . 0.0 111.382 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 782' ' ' LEU . 77.3 mt -171.03 157.83 5.38 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.831 0.852 . . . . 0.0 108.777 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.57 113.82 10.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.337 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -52.48 -34.0 47.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.575 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -65.14 -45.14 86.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.112 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.687 HG21 HD11 ' A' ' 758' ' ' ILE . 15.4 m -63.59 -49.2 74.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.106 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.794 HG21 HD12 ' A' ' 782' ' ' LEU . 62.3 t -55.35 -45.57 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.942 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -30.35 70.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.335 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.596 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 30.5 m-20 -65.9 -44.72 84.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.457 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.02 -37.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.69 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 726' ' ' SER . . . . . 0.486 ' CA ' ' CE1' ' A' ' 775' ' ' HIS . 0.4 OUTLIER -58.78 -48.05 82.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.0 pt-20 -59.57 -48.71 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 30.1 t -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.784 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -40.08 76.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.28 -32.77 74.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.661 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -95.92 7.03 67.28 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.024 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.24 48.54 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.429 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.594 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.34 19.07 7.81 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.216 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.593 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.97 7.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.82 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.3 mp -156.45 160.02 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -99.38 170.0 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.815 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.92 -51.96 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.947 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.14 -46.58 86.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.507 ' HB3' HD23 ' A' ' 736' ' ' LEU . 9.2 mt-10 -68.54 -46.04 70.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.84 -39.15 90.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.012 0.434 . . . . 0.0 110.082 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.0 ttp180 -60.93 -46.84 89.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -58.05 -45.98 86.12 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.163 0.506 . . . . 0.0 109.841 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -31.06 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.325 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.669 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.38 -41.44 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.527 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.11 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.151 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.41 -14.1 59.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.486 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -11.68 23.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.568 0.223 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.37 8.01 25.64 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.903 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 74.5 m80 -81.41 134.31 35.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 751' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 755' ' ' ILE . 6.5 p -84.94 159.89 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -38.17 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.67 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -46.44 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.669 HG23 HD13 ' A' ' 745' ' ' LEU . 10.0 mt -63.82 -37.92 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 760' ' ' THR . 40.7 tt0 -67.64 -35.68 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.264 0.554 . . . . 0.0 109.799 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 721' ' ' THR . 54.1 mt -59.62 -45.86 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.32 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.815 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 2.0 m-85 -65.94 -41.82 90.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.102 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.8 p -68.46 -44.16 75.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.492 0.663 . . . . 0.0 110.18 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -46.86 86.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.788 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.504 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 58.8 m-85 -86.04 -39.96 16.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 4.7 t70 -70.15 62.23 0.21 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.327 . . . . 0.0 110.957 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -66.65 -23.62 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.8 p30 -78.28 -7.83 57.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.359 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.41 21.88 28.75 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.867 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -82.92 0.67 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 111.226 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.412 ' OE1' ' CE2' ' A' ' 738' ' ' PHE . 16.4 mm-40 58.91 30.38 20.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -141.93 128.07 19.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 111.319 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.696 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -100.51 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -117.41 167.39 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.314 0.578 . . . . 0.0 112.091 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -46.28 -29.84 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.61 -47.14 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.696 ' OE2' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.96 -41.82 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.613 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 12.1 t60 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -58.87 -32.25 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.36 -31.53 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.613 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 6.5 mtt -60.63 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.75 90.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -42.8 88.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.47 -45.43 93.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.253 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 722' ' ' VAL . 1.1 tt -62.11 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.56 -27.53 55.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -31.02 71.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 0.0 110.7 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.01 -40.78 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 95.14 4.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.62 50.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.982 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -134.75 -35.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 789' ' ' LEU . 0.2 OUTLIER -61.52 -44.96 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.423 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -44.9 -65.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.503 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 791' ' ' LEU . 0.5 OUTLIER -110.83 -54.85 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.056 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.969 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -143.12 27.04 2.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.543 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.4 m -58.82 129.39 41.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.535 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.6 OUTLIER -134.98 154.63 51.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -111.07 141.27 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 782' ' ' LEU . 15.8 mtpt -57.9 -21.61 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.22 -49.46 67.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -49.1 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 782' ' ' LEU . 62.1 t -55.33 -45.95 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.21 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -42.18 98.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.94 0.4 . . . . 0.0 110.575 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.62 -39.36 94.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 758' ' ' ILE . 8.1 mt -70.91 -40.88 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 1.7 m -60.24 -42.57 95.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -49.22 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 34.8 m -66.39 -32.66 74.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.55 -37.74 77.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.06 73.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -77.5 -26.92 51.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.371 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -83.15 -11.23 81.35 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.154 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.86 37.27 4.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.172 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 85.57 -50.25 4.3 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.203 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.822 ' HD3' HG22 ' A' ' 771' ' ' THR . 23.6 mttm -102.27 125.35 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.825 ' CB ' HD13 ' A' ' 741' ' ' LEU . 4.6 mm? -132.07 135.96 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -88.93 164.76 15.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.439 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.8 -45.37 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.559 -179.358 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -46.43 78.59 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 29.3 mm-40 -69.07 -45.81 69.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.7 tp -66.16 -41.48 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.007 0.432 . . . . 0.0 110.085 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.6 ttm180 -62.13 -46.99 86.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 16.2 pt20 -60.24 -40.52 90.53 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.956 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 744' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.7 m-20 -68.47 -31.25 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.938 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.84 -40.54 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.553 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -39.19 93.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.273 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.25 -13.44 64.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.614 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -14.61 22.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 111.333 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.54 5.91 27.48 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.936 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 745' ' ' LEU . 79.7 m-70 -79.01 132.68 36.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 751' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 754' ' ' GLU . 12.4 p -79.71 154.59 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -60.24 -35.82 76.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.05 -48.07 81.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 755' ' ' ILE . 6.4 pt-20 -67.26 -37.42 83.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.989 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 745' ' ' LEU . 9.2 mt -70.21 -41.01 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.617 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.91 -34.0 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 760' ' ' THR . . . -67.42 -50.09 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.079 0.466 . . . . 0.0 109.873 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 725' ' ' ILE . 54.5 mt -62.7 -44.97 99.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.3 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.85 -42.87 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.155 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 757' ' ' ALA . 7.7 t -68.68 -44.1 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.429 0.633 . . . . 0.0 110.264 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -56.29 -46.04 79.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.735 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.535 ' OH ' HD22 ' A' ' 717' ' ' LEU . 71.1 m-85 -86.07 -36.94 19.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 52.3 t0 -67.7 62.35 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 111.35 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.27 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -85.66 -14.1 46.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.373 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.65 42.83 78.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.195 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -94.35 17.34 13.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 6.6 mp0 56.27 20.64 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.541 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -146.14 144.57 30.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.2 tp -111.66 130.87 55.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.731 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.822 HG22 ' HD3' ' A' ' 735' ' ' LYS . 26.5 p -112.79 162.5 15.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.262 0.553 . . . . 0.0 111.92 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.01 -30.77 11.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.043 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -68.38 -48.42 64.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.86 -41.01 99.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -68.35 -34.54 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -56.63 -34.43 67.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.5 -31.38 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.602 ' SD ' HG13 ' A' ' 722' ' ' VAL . 46.3 ttm -56.9 -50.43 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.5 92.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.11 -43.78 86.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -39.09 82.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 722' ' ' VAL . 1.3 tt -59.46 -45.82 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -73.56 -43.59 59.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -25.73 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.839 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -68.35 -43.44 77.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -75.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.85 176.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.074 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.34 -77.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 789' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 789' ' ' LEU . 3.4 pp -93.08 131.08 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -134.69 72.88 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.0 -47.99 2.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 177.78 -78.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 33.8 m -60.24 131.96 52.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.767 HD12 ' OE1' ' A' ' 785' ' ' GLU . 0.3 OUTLIER -132.65 153.48 51.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.677 179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -104.87 129.25 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.754 ' HG3' HD22 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -57.53 -24.29 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.076 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -70.21 -27.49 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.392 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.797 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.66 -49.57 25.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.034 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.11 -34.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -44.59 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.408 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.608 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 28.2 m-20 -66.16 -40.14 90.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.71 HD13 HD21 ' A' ' 745' ' ' LEU . 13.2 mm -70.98 -47.74 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -47.91 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.841 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.5 pt-20 -56.25 -49.14 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.9 m -67.49 -32.83 73.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.884 0.373 . . . . 0.0 110.608 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.709 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.55 -37.42 77.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -66.1 -31.87 73.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.88 -28.57 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -83.43 -11.14 80.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.943 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.2 5.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.016 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 83.8 -45.24 3.44 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.598 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.741 ' CG ' HG23 ' A' ' 771' ' ' THR . 12.4 mttt -102.38 134.76 45.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 111.416 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.775 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.5 OUTLIER -156.46 145.46 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.754 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -94.31 167.11 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.315 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.824 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.6 -45.07 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.698 -179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.42 -46.48 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.596 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -68.99 -45.96 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.697 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.0 tp -65.45 -43.53 90.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.248 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 25.6 ttp180 -59.35 -44.15 92.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.311 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -46.04 87.58 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -31.29 72.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.243 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 725' ' ' ILE . 10.5 mt -78.1 -39.94 39.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.559 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -39.02 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.201 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.93 63.74 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.529 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -95.14 -14.07 24.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.638 0.256 . . . . 0.0 111.27 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.51 6.24 29.19 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.608 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.4 m80 -79.63 133.92 36.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 155.24 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.4 p-10 -58.74 -36.49 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.02 92.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.28 -41.42 85.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.657 HG12 HD13 ' A' ' 745' ' ' LEU . 9.6 mt -68.0 -41.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.56 -35.98 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.159 0.504 . . . . 0.0 110.001 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 721' ' ' THR . 81.3 mt -60.83 -45.34 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.295 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.824 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.75 -42.48 90.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.94 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 756' ' ' GLU . 24.4 p -68.33 -44.32 75.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.31 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.8 -47.16 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.584 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.688 ' OH ' HD22 ' A' ' 717' ' ' LEU . 73.6 m-85 -85.99 -36.67 19.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 49.0 t0 -68.21 62.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.793 0.33 . . . . 0.0 111.315 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.65 -33.53 71.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -80.11 -13.83 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.56 39.56 75.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.007 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -90.39 12.64 17.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.61 0.243 . . . . 0.0 111.153 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.0 OUTLIER 55.3 24.15 6.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.438 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -146.02 140.36 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.1 tp -111.8 129.68 56.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.958 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.741 HG23 ' CG ' ' A' ' 735' ' ' LYS . 3.0 m -118.77 167.12 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.178 0.513 . . . . 0.0 111.686 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.41 ' H ' HG22 ' A' ' 771' ' ' THR . 2.5 tt0 -50.08 -30.54 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.51 -51.1 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.451 ' OE1' HD12 ' A' ' 770' ' ' LEU . 14.0 mt-10 -63.02 -37.39 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.639 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 729' ' ' LEU . 7.3 t-80 -66.89 -36.04 81.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.83 -33.63 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.45 -31.25 70.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 57.3 mtp -56.95 -54.9 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.023 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -43.69 98.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -47.09 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.59 -42.0 98.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.238 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.754 HD22 ' HG3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -58.78 -39.02 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.304 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -71.0 -26.4 63.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.71 -18.54 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.441 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' GLU . . . . . 0.767 ' OE1' HD12 ' A' ' 717' ' ' LEU . 2.9 mt-10 -101.24 -37.01 8.71 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 786' ' ' ARG . . . . . 0.702 ' HG3' HD23 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -98.89 16.4 22.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.761 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.79 24.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.294 . . . . 0.0 111.256 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.5 47.14 1.37 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.771 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' LEU . . . . . 0.7 HD22 HD12 ' A' ' 791' ' ' LEU . 4.5 tt -145.06 143.08 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.7 HD12 HD22 ' A' ' 789' ' ' LEU . 1.0 OUTLIER 62.64 78.95 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.838 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.99 93.88 1.69 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.346 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.23 -31.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.683 0.278 . . . . 0.0 111.577 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -124.72 143.64 50.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.14 142.95 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.743 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -55.72 -28.89 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.333 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -27.04 66.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.285 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.543 ' CG2' HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -70.64 -49.67 45.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.549 HG21 HD12 ' A' ' 782' ' ' LEU . 61.6 t -55.94 -35.65 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.55 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.615 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 42.5 m-20 -66.12 -45.34 81.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.06 -37.92 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 -48.01 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.814 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -61.4 -49.3 77.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.17 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.2 m -67.27 -32.51 73.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.965 0.412 . . . . 0.0 110.392 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.819 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.4 tm? -69.38 -42.79 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.842 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -65.62 -31.98 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -26.45 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.609 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -81.87 -11.19 83.07 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.222 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 98.73 32.92 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.819 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 88.68 -44.44 3.15 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.533 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.69 137.51 54.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.001 0.4 . . . . 0.0 111.409 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.795 ' HB2' HD13 ' A' ' 741' ' ' LEU . 1.5 mt -146.31 153.69 40.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.765 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.96 166.37 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.822 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.69 -45.41 28.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.851 -179.536 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.61 -46.55 75.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.6 -45.96 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 736' ' ' LEU . 6.1 tp -64.75 -45.46 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.08 0.467 . . . . 0.0 110.247 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.5 OUTLIER -59.31 -44.37 92.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.368 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -57.93 -44.24 86.77 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.157 0.503 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.08 -31.19 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.267 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 755' ' ' ILE . 8.3 mt -76.96 -42.22 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.471 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -63.49 -39.02 93.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.99 -14.59 61.42 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.442 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -95.35 -12.59 25.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.609 0.243 . . . . 0.0 111.203 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 7.83 25.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.965 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.615 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 72.9 m80 -81.83 134.3 35.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 71.7 p -82.76 158.01 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -59.47 -36.71 76.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -43.11 97.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 745' ' ' LEU . 7.8 mt -66.25 -41.07 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.242 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.49 -34.19 77.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.02 63.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 109.759 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.543 HD11 ' CG2' ' A' ' 721' ' ' THR . 80.9 mt -61.16 -47.12 94.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.822 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -65.87 -43.03 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.381 -179.551 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.7 t -68.71 -44.31 74.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.468 0.652 . . . . 0.0 110.089 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -57.45 -43.89 84.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.457 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 717' ' ' LEU . 44.9 m-85 -86.19 -39.97 16.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 7.5 t70 -69.4 62.29 0.15 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 111.361 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -24.25 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -79.01 -11.2 60.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.406 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.75 29.43 58.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.884 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -94.46 17.25 13.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 46.92 28.74 0.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -140.37 131.53 26.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 111.427 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.763 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -103.4 122.73 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.512 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -116.99 168.86 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.258 0.551 . . . . 0.0 111.967 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -48.38 -29.47 4.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.98 -49.84 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.4 mt-10 -62.87 -39.79 95.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.584 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 58.7 t-80 -68.11 -34.83 77.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.65 -35.05 76.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -64.8 -31.81 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.584 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 9.0 mtt -58.03 -47.71 82.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -44.59 95.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -46.84 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 784' ' ' LYS . 0.3 OUTLIER -60.12 -29.16 68.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.871 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -70.89 -34.53 71.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.12 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.63 -43.82 36.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.594 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 781' ' ' ASP . 0.0 OUTLIER -59.74 -31.77 69.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.89 0.376 . . . . 0.0 110.462 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -70.0 -36.77 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 0.0 110.042 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -136.49 106.05 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -117.16 128.54 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.136 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.55 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.812 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.95 71.88 1.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.785 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.71 -69.23 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 46.1 mt -150.14 87.57 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 67.36 -95.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.565 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.02 162.16 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.767 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.4 OUTLIER -132.71 151.56 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -123.06 153.09 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.436 ' N ' HD21 ' A' ' 782' ' ' LEU . 1.5 tttt -60.44 -19.52 56.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -67.64 -42.5 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -49.4 65.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.642 HG21 HD13 ' A' ' 782' ' ' LEU . 50.1 t -55.81 -40.87 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -44.03 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.571 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.599 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 24.4 m-20 -64.78 -40.77 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.762 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.704 HD11 HD13 ' A' ' 758' ' ' ILE . 13.9 mt -71.09 -45.82 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 726' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 775' ' ' HIS . 15.1 m -55.33 -48.03 74.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.747 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.5 pt-20 -59.79 -49.05 79.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.519 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 75.2 m -66.52 -32.82 74.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.61 -37.36 76.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 110.882 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.49 -31.96 73.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -34.06 60.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.737 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.9 -11.17 85.66 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.127 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.17 35.37 4.79 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.994 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 81.75 -53.54 4.72 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.399 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.619 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -102.41 130.3 49.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 111.354 -179.36 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.737 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.4 mt -147.32 151.05 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -94.77 167.6 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.303 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.813 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.68 -45.85 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.909 -179.622 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.32 -46.55 76.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.09 -45.94 65.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.5 tp -65.03 -44.25 89.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.027 0.442 . . . . 0.0 110.255 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 10.6 ttp180 -59.72 -44.79 93.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.438 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -57.97 -45.33 86.89 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.232 0.539 . . . . 0.0 109.862 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -31.29 72.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.174 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -76.89 -40.97 45.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.488 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -39.06 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.224 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.34 -13.02 59.69 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.769 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -12.69 22.62 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.81 -0.23 . . . . 0.0 111.381 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.73 7.38 27.67 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.97 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 70.7 m80 -80.33 133.74 35.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.9 p -80.94 155.33 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.11 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -59.06 -36.29 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.26 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -67.04 -41.99 85.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 745' ' ' LEU . 9.0 mt -67.59 -40.86 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.91 -35.38 78.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.94 -50.21 63.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.129 0.49 . . . . 0.0 109.935 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 725' ' ' ILE . 68.4 mt -60.91 -45.48 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.179 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.813 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.6 m-85 -65.69 -42.53 91.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.021 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 756' ' ' GLU . 38.7 p -68.23 -44.17 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.449 0.642 . . . . 0.0 110.187 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -57.65 -46.95 83.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.8 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.767 ' OH ' HD22 ' A' ' 717' ' ' LEU . 68.5 m-85 -85.98 -38.73 17.63 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -68.62 62.21 0.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.688 0.28 . . . . 0.0 111.348 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.55 -19.94 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.1 -12.94 57.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.457 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.55 24.1 55.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.765 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 48.3 p30 -83.69 1.77 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 0.0 111.406 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 61.16 26.96 16.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -146.11 140.92 27.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 111.141 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.551 HD12 ' OE1' ' A' ' 774' ' ' GLU . 2.8 tp -110.63 129.12 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.73 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.47 167.81 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 111.95 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 771' ' ' THR . 7.3 tt0 -49.45 -32.15 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -66.49 -49.6 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.551 ' OE1' HD12 ' A' ' 770' ' ' LEU . 1.9 mt-10 -62.98 -41.26 99.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 66.0 t-80 -64.14 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.727 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.0 66.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 21.2 mtt -56.77 -44.22 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -44.49 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.312 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.1 -46.94 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -42.68 96.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -62.31 -34.93 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.52 -27.13 55.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.46 -30.9 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.07 -44.59 21.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.583 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -121.27 100.14 6.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -93.63 106.13 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.07 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.43 135.19 38.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -94.15 60.91 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 12.6 mt 57.74 66.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.83 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.112 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.08 -96.29 2.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 18.8 m 62.75 -171.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.758 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.599 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.2 OUTLIER -131.23 152.39 50.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -105.61 130.18 53.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.458 ' HG2' HD22 ' A' ' 782' ' ' LEU . 0.9 OUTLIER -57.79 -22.52 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.6 -41.1 80.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.683 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -67.12 -49.5 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.403 . . . . 0.0 110.866 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.597 HG21 HD12 ' A' ' 782' ' ' LEU . 22.0 t -55.4 -38.74 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.119 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -35.38 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.888 0.375 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.592 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 28.1 m-20 -68.65 -44.05 74.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 721' ' ' THR . 3.4 mt -70.97 -37.86 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.749 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 726' ' ' SER . . . . . 0.485 ' CA ' ' CE1' ' A' ' 775' ' ' HIS . 1.2 t -62.0 -47.85 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.634 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -59.22 -46.58 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.192 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 32.4 m -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.66 -37.4 76.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.28 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.96 -30.14 66.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -94.87 6.99 70.12 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.07 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.5 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 56.98 16.34 17.71 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.312 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.65 125.46 7.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.998 0.399 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.833 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -153.11 158.01 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.39 168.19 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 111.601 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.857 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -46.17 30.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.044 -179.597 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.55 -46.6 72.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.621 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.7 OUTLIER -69.92 -45.96 66.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.33 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.8 tp -64.76 -45.23 87.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.059 0.457 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -58.92 -43.43 91.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.184 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.86 -45.29 86.54 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.224 0.535 . . . . 0.0 109.811 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.04 -31.32 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.143 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 755' ' ' ILE . 7.7 mt -75.52 -44.78 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -63.41 -38.9 92.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -12.83 61.65 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 -11.54 22.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.601 0.239 . . . . 0.0 111.238 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.63 3.24 28.83 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.92 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 71.7 m80 -77.09 130.93 38.05 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.825 0.312 . . . . 0.0 110.811 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.21 151.63 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' A' ' 755' ' ' ILE . 23.8 t70 -57.43 -39.7 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.262 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.28 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.363 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -39.68 94.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 745' ' ' LEU . 8.6 mt -67.63 -43.35 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.07 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.245 0.545 . . . . 0.0 109.87 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 721' ' ' THR . 56.2 mt -61.92 -46.43 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.367 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.857 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.83 -43.06 89.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.303 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.0 t -68.68 -44.27 74.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.526 0.679 . . . . 0.0 110.179 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -55.74 -48.55 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.792 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.599 ' OH ' HD22 ' A' ' 717' ' ' LEU . 69.7 m-85 -85.97 -35.39 20.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 10.6 t70 -68.87 62.24 0.11 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -65.63 -21.0 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.253 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -80.51 -12.75 59.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.33 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.76 25.66 56.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.693 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -90.97 10.88 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.695 0.283 . . . . 0.0 111.24 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 51.09 34.0 10.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.335 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -145.72 133.92 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.681 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -106.6 125.12 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 34.9 p -119.55 171.02 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 0.0 111.924 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.34 -34.51 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -48.33 73.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.681 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.8 mt-10 -62.86 -41.26 99.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.485 ' CE1' ' CA ' ' A' ' 726' ' ' SER . 12.8 t60 -63.22 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.782 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -68.56 -31.47 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.601 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.59 ' HE3' ' CD2' ' A' ' 762' ' ' TYR . 13.0 mtp -63.01 -55.16 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -65.65 -41.56 92.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.376 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -46.98 79.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.635 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.04 -32.72 74.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 722' ' ' VAL . 1.7 tt -61.41 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -26.09 64.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -35.39 79.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.7 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -66.49 -42.5 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -119.97 109.12 15.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.736 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.79 138.55 33.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.975 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.5 46.09 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.85 94.45 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.57 67.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 17.9 mt -110.08 -27.9 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.1 -43.0 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' SER . . . . . 0.658 ' O ' ' HB2' ' A' ' 717' ' ' LEU . 0.5 OUTLIER 70.6 -63.57 0.4 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.555 0.217 . . . . 0.0 110.842 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.658 ' HB2' ' O ' ' A' ' 716' ' ' SER . 5.0 mp 90.04 175.47 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 718' ' ' LYS . . . . . 0.438 ' C ' HD21 ' A' ' 782' ' ' LEU . 4.0 mtpm? -118.3 147.13 43.77 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -19.42 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -40.43 85.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.272 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.6 OUTLIER -73.61 -49.33 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.174 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.602 ' CG2' HD23 ' A' ' 782' ' ' LEU . 31.3 t -55.73 -41.25 64.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -44.58 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.598 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 38.6 m-20 -68.74 -44.37 73.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.869 HD11 HD13 ' A' ' 758' ' ' ILE . 4.8 mt -71.07 -37.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.8 t -63.36 -47.95 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.633 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -59.24 -49.21 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 9.3 m -67.5 -32.54 73.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.265 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.804 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.0 tm? -69.28 -40.99 77.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -32.22 72.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -82.54 -24.93 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.906 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.88 -11.27 85.57 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.215 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.76 7.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.333 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.804 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.62 -44.29 3.25 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.459 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -116.14 128.92 56.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.924 0.393 . . . . 0.0 111.439 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.906 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.1 mt -145.94 155.08 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.71 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 737' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 769' ' ' GLU . 24.2 p30 -110.05 178.3 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.888 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.6 -52.24 18.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.01 -46.89 85.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.513 ' HB3' HD23 ' A' ' 736' ' ' LEU . 21.0 mt-10 -70.72 -46.12 63.67 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.08 -41.07 91.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.899 ' HG3' HD13 ' A' ' 755' ' ' ILE . 8.1 ttt180 -60.24 -46.11 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.96 -45.98 85.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.058 0.456 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -31.25 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.54 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.527 HD13 HG12 ' A' ' 755' ' ' ILE . 6.8 mt -77.54 -40.53 42.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.697 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' A' ' 742' ' ' ARG . 0.0 OUTLIER -63.24 -39.01 93.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.215 -179.104 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -62.53 -16.2 54.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.263 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -97.94 -13.46 21.15 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.607 0.241 . . . . 0.0 111.352 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 106.24 9.97 30.64 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.147 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 75.7 m80 -75.74 132.28 40.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.818 0.342 . . . . 0.0 110.962 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.0 p -80.39 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.111 0.482 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.88 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.9 p-10 -57.31 -37.71 72.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -56.85 -46.65 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -39.19 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.899 HD13 ' HG3' ' A' ' 742' ' ' ARG . 8.3 mt -66.83 -41.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 760' ' ' THR . 22.8 tt0 -67.25 -37.61 83.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.08 67.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 109.877 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.869 HD13 HD11 ' A' ' 725' ' ' ILE . 72.6 mt -60.84 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.716 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.9 OUTLIER -65.95 -42.51 89.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.202 -179.332 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 756' ' ' GLU . 43.7 p -68.03 -44.14 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.715 . . . . 0.0 109.461 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.63 -48.64 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.502 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.529 ' OH ' HD13 ' A' ' 717' ' ' LEU . 65.0 m-85 -85.93 -40.15 16.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 13.1 t0 -70.6 62.26 0.25 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.24 -38.59 77.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 765' ' ' ASP . 11.1 p-10 -70.96 -8.71 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.42 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.09 38.84 90.94 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.884 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.97 12.48 30.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.508 0.194 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 49.17 27.29 1.75 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 769' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 737' ' ' ASN . 5.2 tt0 -142.15 135.89 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 0.0 111.069 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.773 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.4 tp -117.22 133.47 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.665 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 58.2 p -125.77 -179.52 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 0.0 112.029 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.82 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.203 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.45 -51.34 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.656 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -68.4 -35.03 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -56.8 -34.28 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.598 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -68.51 -31.43 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.561 ' HG2' HG22 ' A' ' 722' ' ' VAL . 4.7 ttp -57.36 -50.4 73.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -38.34 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.69 88.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -29.2 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 722' ' ' VAL . 0.0 OUTLIER -70.5 -40.12 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.87 -25.25 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -66.79 -30.52 70.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.15 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 716' ' ' SER . 7.4 tp10 -72.35 -53.13 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.49 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 92.86 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 33.91 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -144.64 -38.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.55 97.03 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.499 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.44 -45.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -67.82 0.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -94.79 78.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 50.2 m 61.43 -175.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.711 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.3 OUTLIER -130.75 151.63 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -110.36 143.66 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -24.08 7.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.477 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -64.81 -49.6 70.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 758' ' ' ILE . 0.0 OUTLIER -58.44 -33.7 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.271 0.558 . . . . 0.0 110.252 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.885 ' CG2' HD13 ' A' ' 782' ' ' LEU . 56.2 t -69.18 -49.84 58.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.285 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -31.24 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.457 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 43.2 m-20 -65.36 -48.68 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.962 HD13 ' HE2' ' A' ' 778' ' ' MET . 9.9 mt -71.22 -38.53 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 726' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' A' ' 775' ' ' HIS . 15.8 p -58.63 -47.96 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.122 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 15.2 pt-20 -59.4 -49.12 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.53 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 44.5 t -65.49 -33.2 75.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.716 0.293 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.72 -39.58 76.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.76 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.71 -31.98 73.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.81 -33.16 73.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.176 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.77 -11.04 74.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.11 48.42 2.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.83 11.87 58.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.995 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.887 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -153.57 131.8 11.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.784 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -157.64 150.68 23.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.685 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.18 167.6 10.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.45 . . . . 0.0 111.465 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.817 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.96 -52.03 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.05 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.5 -46.63 87.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.679 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.0 OUTLIER -70.59 -45.69 64.88 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.252 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.784 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.3 tp -65.48 -41.39 93.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.994 0.425 . . . . 0.0 110.111 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 1.5 ttt180 -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.5 pt20 -61.98 -40.56 96.03 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -31.19 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.986 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.654 HD13 HG23 ' A' ' 755' ' ' ILE . 8.4 mt -77.13 -43.82 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.88 92.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.175 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.62 -12.86 57.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.416 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -9.32 26.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.681 0.277 . . . . 0.0 111.208 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.65 5.54 27.59 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.877 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 72.8 m80 -80.05 132.31 35.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 751' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 755' ' ' ILE . 2.1 m -80.84 155.83 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.0 p-10 -59.58 -39.91 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.18 -43.31 95.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.654 HG23 HD13 ' A' ' 745' ' ' LEU . 6.6 mt -67.3 -37.98 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 760' ' ' THR . 0.3 OUTLIER -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.067 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.17 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.273 0.558 . . . . 0.0 109.671 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 721' ' ' THR . 88.1 mt -58.87 -47.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.423 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.817 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.94 -41.03 91.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.143 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.6 p -68.45 -44.31 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.483 0.659 . . . . 0.0 110.315 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -58.14 -47.86 82.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.961 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.711 ' OH ' HD22 ' A' ' 717' ' ' LEU . 62.4 m-85 -86.01 -36.79 19.53 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 28.4 t0 -69.67 62.24 0.17 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.66 -40.8 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.87 -11.73 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.21 35.83 55.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.019 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -88.31 9.51 22.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.298 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.7 OUTLIER 56.78 27.49 12.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.319 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -145.9 132.72 20.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 111.349 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.62 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.3 tp -105.0 124.02 48.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.887 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.56 168.59 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.261 0.553 . . . . 0.0 112.008 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 771' ' ' THR . 9.5 pt-20 -47.79 -31.73 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.95 -50.34 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.62 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -63.04 -40.51 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.661 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 778' ' ' MET . 29.3 t-80 -64.55 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -56.46 -30.54 63.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -67.08 -31.29 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.962 ' HE2' HD13 ' A' ' 725' ' ' ILE . 0.1 OUTLIER -56.93 -54.35 47.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.03 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -44.53 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -46.89 76.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.045 0.45 . . . . 0.0 110.933 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.498 ' HA ' ' HG2' ' A' ' 784' ' ' LYS . 2.4 m-20 -63.94 -35.07 79.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.164 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.885 HD13 ' CG2' ' A' ' 722' ' ' VAL . 0.5 OUTLIER -71.29 -40.98 70.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.419 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.27 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 781' ' ' ASP . 0.0 OUTLIER -75.68 -31.08 59.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.515 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.75 -34.24 77.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -80.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.115 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 75.0 96.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.1 42.02 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.9 100.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.05 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -65.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.023 0.439 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -176.89 35.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.418 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 717' ' ' LEU . 67.0 m -70.2 -80.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.376 0.132 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.793 HD22 ' OH ' ' A' ' 762' ' ' TYR . 5.8 mp 85.41 172.41 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.595 0.559 . . . . 0.0 110.889 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 718' ' ' LYS . . . . . 0.699 ' C ' HD11 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -102.92 134.49 46.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 111.225 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.606 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -58.73 -27.2 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.163 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.21 -28.66 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.777 HG22 HD11 ' A' ' 725' ' ' ILE . 3.1 m -70.09 -49.52 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.708 HG22 ' HG2' ' A' ' 778' ' ' MET . 13.4 t -55.55 -35.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -36.88 84.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.475 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.62 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 39.0 m-20 -72.53 -44.79 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 721' ' ' THR . 4.6 mt -71.0 -42.49 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 8.4 t -63.66 -47.94 79.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.781 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 21.5 pt-20 -56.47 -41.78 77.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.447 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 728' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 58.7 m -73.43 -32.74 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 110.445 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.58 -37.37 76.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.84 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -31.95 73.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -30.38 57.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.248 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.37 -11.14 78.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.042 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.88 41.21 2.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.731 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 64.6 5.71 18.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.841 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.486 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.4 ptmm? -153.64 133.59 13.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.495 0.647 . . . . 0.0 111.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.8 mp -156.69 156.24 33.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -93.85 168.62 10.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.821 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -45.06 29.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.44 -46.5 76.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.751 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.2 mm-40 -69.95 -45.94 66.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.32 -42.66 87.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.003 0.43 . . . . 0.0 110.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.9 ttm180 -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -62.88 -39.75 95.4 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.66 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 744' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.2 m-20 -67.95 -31.3 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.902 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.616 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -78.62 -40.84 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.328 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -39.04 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.251 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.74 62.4 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.37 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 -13.39 24.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.71 0.29 . . . . 0.0 111.208 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.51 4.29 28.61 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.62 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.9 m80 -79.39 133.84 36.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 14.8 p -80.47 154.02 27.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -58.0 -35.98 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.7 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -41.79 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.492 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.616 HG23 HD13 ' A' ' 745' ' ' LEU . 11.0 mt -67.28 -39.78 83.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -67.71 -33.93 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.46 64.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.227 0.537 . . . . 0.0 109.77 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.431 HD13 HD11 ' A' ' 725' ' ' ILE . 60.8 mt -61.57 -48.11 90.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.374 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.821 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.66 -42.95 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.265 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.2 t -68.52 -44.15 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.467 0.651 . . . . 0.0 110.021 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -58.53 -43.67 89.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.611 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.793 ' OH ' HD22 ' A' ' 717' ' ' LEU . 53.7 m-85 -86.12 -39.82 16.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 39.0 t0 -68.09 62.3 0.08 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.765 0.317 . . . . 0.0 111.372 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -57.59 -33.76 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.68 -12.59 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.311 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.59 42.86 78.01 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.032 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -90.76 14.14 14.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 111.278 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 12.5 mm100 56.16 21.61 5.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.584 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -146.07 142.16 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.039 0.447 . . . . 0.0 111.552 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.673 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.744 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.4 OUTLIER -119.85 171.33 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.229 0.537 . . . . 0.0 111.896 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 771' ' ' THR . 1.7 mt-10 -52.12 -33.23 38.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.12 -50.99 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.673 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.0 mt-10 -63.57 -39.69 95.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.743 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -68.67 -34.82 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 39.9 tp60 -56.93 -38.57 73.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.82 -31.43 70.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.191 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.708 ' HG2' HG22 ' A' ' 722' ' ' VAL . 5.0 ttp -56.91 -55.46 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.894 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 779' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 1.0 OUTLIER -62.32 -37.62 86.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.401 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -45.11 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -33.03 74.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.3 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.699 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -70.91 -35.86 72.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.564 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 783' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 787' ' ' GLU . 11.4 pt-20 -76.83 -31.04 56.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -19.6 43.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.17 -33.57 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.92 13.91 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 787' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 783' ' ' GLU . 0.8 OUTLIER -150.35 24.04 0.81 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.335 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -114.19 58.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.41 . . . . 0.0 110.969 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.93 -69.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.07 -59.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 87.6 mt -152.8 67.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.97 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -163.46 -82.2 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 139.32 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.764 HD21 ' NZ ' ' A' ' 761' ' ' LYS . 0.5 OUTLIER -134.44 154.5 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.622 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.61 139.65 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -23.64 33.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.232 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -67.39 -30.33 70.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.786 HG22 HD11 ' A' ' 725' ' ' ILE . 38.0 m -66.76 -49.39 66.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 0.0 110.666 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.5 t -55.61 -34.81 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.45 -45.74 90.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.434 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.586 ' CB ' ' CE1' ' A' ' 750' ' ' HIS . 0.6 OUTLIER -71.12 -46.67 61.22 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.059 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 721' ' ' THR . 6.9 mt -65.23 -47.84 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 23.1 t -57.22 -46.34 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -49.1 79.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.989 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 45.4 t -65.98 -32.68 74.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.485 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.7 -39.04 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 179.766 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -31.99 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -66.29 -31.15 71.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.479 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -91.87 -11.01 60.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.873 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.0 48.28 1.77 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.533 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.485 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 65.09 10.82 49.07 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.192 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 131.78 11.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.994 0.397 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.702 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.3 OUTLIER -157.58 153.34 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.77 165.31 12.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.137 0.494 . . . . 0.0 111.602 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.86 -47.42 31.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.055 -179.666 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -46.62 77.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.571 ' HB3' HD23 ' A' ' 736' ' ' LEU . 18.8 mt-10 -70.4 -45.87 65.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.702 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.4 tp -63.97 -45.38 89.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.351 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 755' ' ' ILE . 20.7 ttp180 -59.77 -44.03 94.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.367 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.9 -42.87 85.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.232 0.539 . . . . 0.0 109.762 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.26 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.255 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 755' ' ' ILE . 5.9 mt -76.49 -43.64 38.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.522 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -38.93 93.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.3 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.7 -11.29 57.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.694 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -11.24 21.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.28 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.29 4.12 29.07 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.922 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.586 ' CE1' ' CB ' ' A' ' 724' ' ' ASP . 68.5 m80 -79.09 133.39 36.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.8 p -77.85 150.48 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.616 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.5 t70 -58.86 -38.54 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.73 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.71 -40.51 95.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 745' ' ' LEU . 8.7 mt -67.93 -40.39 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tp10 -66.31 -36.74 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.32 -50.14 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.111 0.482 . . . . 0.0 109.86 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.92 -46.71 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.829 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.65 -42.64 91.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.149 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.1 p -68.24 -44.34 75.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.493 0.664 . . . . 0.0 110.247 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 761' ' ' LYS . . . . . 0.764 ' NZ ' HD21 ' A' ' 717' ' ' LEU . 0.1 OUTLIER -57.61 -46.16 84.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.602 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.647 ' OH ' HD22 ' A' ' 717' ' ' LEU . 66.3 m-85 -85.92 -39.48 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.3 t70 -69.52 62.31 0.16 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.789 0.328 . . . . 0.0 111.308 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -64.22 -19.95 65.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.326 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -83.37 -14.0 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.07 29.46 62.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.881 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -90.13 11.09 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.298 . . . . 0.0 111.363 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 54.38 28.34 9.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.41 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -146.0 137.65 24.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 111.421 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.671 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.4 tp -108.7 127.81 54.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.508 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 44.0 p -123.81 178.42 5.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.379 0.609 . . . . 0.0 112.193 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -35.27 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.235 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -51.2 64.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.671 ' OE1' HD12 ' A' ' 770' ' ' LEU . 3.4 mt-10 -63.47 -40.19 96.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -66.32 -34.83 78.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 0.0 OUTLIER -56.86 -37.74 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -68.68 -31.37 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.62 ' HE1' HG21 ' A' ' 725' ' ' ILE . 32.7 ttm -56.98 -55.29 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.713 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 779' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER -65.57 -38.4 89.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.999 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -46.89 76.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.495 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.09 -28.98 64.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.48 -43.64 48.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.435 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -30.93 65.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.989 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.75 24.37 13.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 787' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 788' ' ' ASP . 1.2 tt0 46.08 42.46 9.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.457 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 788' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 787' ' ' GLU . 0.4 OUTLIER 80.89 -48.27 0.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.1 -177.01 2.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.85 46.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -39.02 8.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.339 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 124.98 121.17 2.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 39.2 m -74.51 -84.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.54 0.21 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.4 OUTLIER -33.37 149.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.0 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 718' ' ' LYS . . . . . 0.694 ' C ' HD11 ' A' ' 782' ' ' LEU . 2.1 mppt? -131.2 160.14 35.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -59.62 -26.06 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.265 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.58 -34.27 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.168 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -68.29 -49.22 61.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.4 t -55.72 -34.9 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.414 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.51 -39.88 89.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.616 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 30.7 m-20 -72.09 -44.55 63.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 758' ' ' ILE . 4.0 mt -71.05 -37.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 12.3 t -65.95 -48.01 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.558 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -58.48 -48.88 79.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.017 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -32.68 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -69.78 -41.21 75.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.678 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -31.99 72.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.735 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.27 -26.58 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -78.63 -11.13 85.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.979 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.77 29.75 6.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.604 -0.807 . . . . 0.0 113.168 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.829 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 89.46 -40.78 3.03 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.324 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.686 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.7 ptpt -127.38 147.81 50.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 111.214 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.897 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.5 mp -157.34 155.47 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.07 165.31 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.826 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.7 -44.66 27.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.579 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.52 -46.65 75.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 0.8 OUTLIER -70.3 -45.97 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.087 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.3 tp -66.0 -43.55 87.38 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.15 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.8 ttp-105 -60.74 -44.05 97.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 4.2 pt20 -63.07 -38.42 91.12 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.864 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 744' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.5 OUTLIER -69.88 -31.52 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.071 178.697 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.511 HD13 HG12 ' A' ' 755' ' ' ILE . 6.8 mt -78.69 -42.22 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.431 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -38.91 92.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.294 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.97 -11.41 54.65 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.607 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -10.93 24.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.581 0.229 . . . . 0.0 111.249 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.25 29.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.004 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.616 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 69.7 m80 -80.45 135.04 36.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.4 p -77.98 150.51 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -59.58 -38.42 81.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.57 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -42.82 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.2 mt -65.33 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -65.8 -36.69 84.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.06 65.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.142 0.496 . . . . 0.0 109.884 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.745 HD13 HD11 ' A' ' 725' ' ' ILE . 65.5 mt -61.33 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.826 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.0 OUTLIER -65.69 -42.74 90.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.057 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 756' ' ' GLU . 44.1 p -68.37 -44.24 75.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 109.945 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 761' ' ' LYS . . . . . 0.632 ' HD2' HD21 ' A' ' 717' ' ' LEU . 23.0 ttmm -57.48 -44.02 84.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.488 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 717' ' ' LEU . 57.3 m-85 -86.13 -39.82 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 25.0 t0 -69.67 62.22 0.17 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.733 0.301 . . . . 0.0 111.322 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.17 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.43 -14.05 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.338 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.9 47.69 58.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.021 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.64 20.34 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 2.6 mp0 55.05 20.93 3.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.519 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -146.13 141.47 27.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.591 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.9 tp -106.46 127.22 53.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.643 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 7.0 m -110.95 160.34 16.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.155 0.502 . . . . 0.0 111.817 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -47.99 -31.55 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.07 -47.11 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE1' HD12 ' A' ' 770' ' ' LEU . 6.5 mt-10 -63.01 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -66.43 -34.86 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.35 -36.17 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.679 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.27 -31.37 70.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.809 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 722' ' ' VAL . 3.9 ttp -56.83 -46.49 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 779' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 722' ' ' VAL . 2.5 mtt-85 -65.56 -44.61 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -46.91 75.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.419 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -47.51 85.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.362 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.694 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -60.32 -34.58 74.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.51 -179.582 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.58 -25.65 60.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.52 62.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.49 -53.35 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 786' ' ' ARG . . . . . 0.467 ' HG2' HD23 ' A' ' 782' ' ' LEU . 0.5 OUTLIER -103.29 99.45 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.058 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -115.07 103.97 11.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.52 41.08 3.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 789' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 789' ' ' LEU . 8.0 tt -77.93 119.34 21.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -38.17 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 12.9 mt -147.47 -87.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 153.29 88.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.4 m -58.49 157.9 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.591 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.2 OUTLIER -130.61 150.76 51.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -115.35 152.47 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -23.16 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.53 -43.12 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.8 OUTLIER -65.44 -34.01 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.529 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.985 HG21 HD12 ' A' ' 782' ' ' LEU . 74.8 t -71.07 -48.38 55.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.016 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -30.29 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.333 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.506 ' OD2' HD22 ' A' ' 745' ' ' LEU . 17.1 t0 -65.1 -48.84 72.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.595 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.816 HD13 ' CE ' ' A' ' 778' ' ' MET . 6.8 mt -71.21 -44.52 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.347 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 726' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' A' ' 775' ' ' HIS . 0.9 OUTLIER -56.81 -47.88 79.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.418 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -57.54 -49.22 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.646 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 728' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 42.1 m -67.11 -32.83 74.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.784 0.326 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.824 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.57 -39.39 77.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -32.26 73.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.082 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.08 74.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.05 7.18 67.02 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.972 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 87.52 48.6 4.19 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.621 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.618 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.82 19.28 9.98 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.327 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -153.61 125.35 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.9 0.35 . . . . 0.0 110.88 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 729' ' ' LEU . 4.1 mp -157.53 159.99 37.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.057 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -100.15 170.78 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.471 . . . . 0.0 111.378 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.843 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.85 -52.02 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.816 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.16 -46.53 90.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.639 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.0 mt-10 -69.82 -45.87 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.003 0.43 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.68 ' HG2' HD13 ' A' ' 755' ' ' ILE . 3.1 tmm_? -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.763 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.9 pt20 -59.75 -41.48 91.07 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 744' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.7 OUTLIER -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.904 178.374 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 755' ' ' ILE . 13.1 mt -77.44 -41.87 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.678 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.37 -38.95 93.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.444 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -11.8 59.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.741 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -11.05 30.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.56 32.97 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 750' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -85.1 140.65 30.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.663 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 159.27 20.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.251 0.548 . . . . 0.0 111.395 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.669 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -61.61 -37.91 85.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.992 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.81 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.29 -41.17 98.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.68 HD13 ' HG2' ' A' ' 742' ' ' ARG . 8.9 mt -66.56 -50.12 69.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.329 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 760' ' ' THR . 2.8 mt-10 -61.05 -34.05 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.538 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.45 -50.52 51.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 0.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 725' ' ' ILE . 48.2 mt -59.95 -45.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.033 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.843 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.87 -41.42 91.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.154 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.8 p -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.137 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -57.22 -48.51 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.876 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.591 ' OH ' HD22 ' A' ' 717' ' ' LEU . 54.1 m-85 -86.07 -38.11 18.16 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 7.0 t70 -70.22 62.22 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.979 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.3 -31.85 70.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.277 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -73.26 -11.11 60.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.423 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.51 31.9 52.45 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.76 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 45.1 p30 -89.51 8.75 29.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.652 0.263 . . . . 0.0 111.262 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 55.7 29.67 14.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.352 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -146.04 132.84 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 111.391 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.722 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.7 tp -105.62 124.91 50.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.959 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.68 HG22 ' HG2' ' A' ' 735' ' ' LYS . 23.6 p -121.59 173.81 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.259 0.552 . . . . 0.0 112.03 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.08 -33.12 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.94 -50.1 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.722 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.2 mt-10 -62.87 -39.86 95.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.484 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 22.2 t60 -66.09 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -30.66 63.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.636 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -68.09 -31.25 70.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.539 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.816 ' CE ' HD13 ' A' ' 725' ' ' ILE . 1.5 mmt -56.81 -48.2 78.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.255 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.53 94.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -44.88 83.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.42 ' HA ' ' HG2' ' A' ' 784' ' ' LYS . 3.3 m-20 -60.13 -35.75 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.366 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.985 HD12 HG21 ' A' ' 722' ' ' VAL . 0.6 OUTLIER -71.12 -35.4 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.394 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.57 -27.76 62.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.726 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 785' ' ' GLU . 0.0 OUTLIER -71.27 -30.38 66.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.764 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 785' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 784' ' ' LYS . 2.6 tt0 -78.0 -41.26 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.545 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 786' ' ' ARG . . . . . 0.472 ' HD3' HD12 ' A' ' 789' ' ' LEU . 0.1 OUTLIER -122.74 104.11 9.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.89 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.6 93.17 6.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 78.11 -56.57 0.48 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.071 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 789' ' ' LEU . . . . . 0.472 HD12 ' HD3' ' A' ' 786' ' ' ARG . 0.5 OUTLIER 61.18 92.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.886 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.95 -44.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER 176.96 -60.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.993 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.443 ' N ' HD12 ' A' ' 791' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.47 131.33 6.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.5 m 71.59 10.96 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.675 0.274 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 782' ' ' LEU . 68.0 mt 56.09 163.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.451 0.643 . . . . 0.0 111.816 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 109.78 7.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.259 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -56.21 -31.01 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.2 -39.2 82.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.826 HG21 HD11 ' A' ' 758' ' ' ILE . 3.3 m -73.66 -49.39 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 725' ' ' ILE . 60.2 t -55.45 -40.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.924 0.392 . . . . 0.0 110.278 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.595 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 19.0 m-20 -62.93 -42.5 99.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.465 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 758' ' ' ILE . 3.9 mt -70.91 -37.75 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.537 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 6.0 p -58.18 -44.66 88.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.191 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -49.21 72.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.5 m -62.55 -32.64 73.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.62 -37.96 77.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -31.94 67.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -40.05 95.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.29 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.672 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -78.93 -11.08 85.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.923 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.79 41.79 2.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.814 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.69 -51.46 4.56 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.195 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -102.48 141.65 34.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 111.471 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.672 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.3 OUTLIER -157.43 148.68 21.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.528 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.01 164.64 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.642 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.864 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.82 -46.62 31.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.924 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.547 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.1 mt-10 -69.42 -45.9 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.6 tp -64.51 -44.11 91.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.1 0.476 . . . . 0.0 110.304 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 755' ' ' ILE . 6.7 ttm180 -59.48 -44.44 93.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.02 -45.36 87.05 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.23 0.538 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -31.27 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.241 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 755' ' ' ILE . 6.6 mt -77.49 -40.8 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.528 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -39.1 93.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.67 -14.42 69.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.432 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 -13.64 29.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.684 0.278 . . . . 0.0 111.244 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 4.63 28.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 52.0 m80 -81.87 135.29 35.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.23 155.86 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -59.13 -37.38 77.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.954 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.42 90.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.22 -41.4 94.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.688 HG23 HD13 ' A' ' 745' ' ' LEU . 7.0 mt -67.78 -40.34 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.35 -34.7 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.7 -50.08 59.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 109.731 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 721' ' ' THR . 72.2 mt -61.28 -46.89 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.391 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.864 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.7 m-85 -66.04 -42.98 88.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.454 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.89 -44.46 73.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.246 0.545 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 761' ' ' LYS . . . . . 0.479 ' HG3' ' CD2' ' A' ' 762' ' ' TYR . 5.0 ptpt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.947 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.479 ' CD2' ' HG3' ' A' ' 761' ' ' LYS . 49.8 m-85 -86.35 -37.9 18.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 43.9 t0 -68.66 62.27 0.1 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.176 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.34 -44.74 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.251 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.0 -13.21 61.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.3 44.87 58.36 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.011 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -95.7 20.74 9.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 38.2 mm-40 50.92 25.95 2.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.484 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.99 136.04 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 111.523 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -108.22 127.08 53.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.461 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 41.3 p -115.4 162.6 16.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.22 0.533 . . . . 0.0 111.861 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -29.86 4.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.955 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.0 -47.74 70.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -62.85 -38.96 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 778' ' ' MET . 28.0 t-80 -67.83 -34.82 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -56.74 -31.28 64.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.54 -31.21 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.482 ' CE ' HD13 ' A' ' 725' ' ' ILE . 0.0 OUTLIER -56.71 -48.8 76.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.57 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -47.05 74.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.216 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.765 ' HB3' HD11 ' A' ' 717' ' ' LEU . 11.7 m-20 -59.81 -43.0 94.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.209 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.886 ' HA ' HD12 ' A' ' 717' ' ' LEU . 0.3 OUTLIER -57.26 -36.32 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.292 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 783' ' ' GLU . . . . . 0.549 ' CG ' HD21 ' A' ' 791' ' ' LEU . 1.6 mp0 -76.67 -29.56 56.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -65.27 -34.4 78.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -76.68 -42.58 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.768 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -124.37 98.45 5.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.65 154.92 22.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -156.18 54.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 22.2 mt 59.16 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -154.16 81.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.549 HD21 ' CG ' ' A' ' 783' ' ' GLU . 0.4 OUTLIER -56.81 -56.69 18.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -137.13 10.32 3.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.923 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.86 -58.2 2.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.763 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.7 OUTLIER -130.6 152.78 49.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.694 179.734 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.44 127.85 47.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 782' ' ' LEU . 12.6 tttt -59.17 -25.73 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.91 -25.63 66.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.538 HG23 HD13 ' A' ' 758' ' ' ILE . 56.3 m -70.82 -49.71 43.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 782' ' ' LEU . 28.0 t -55.73 -35.0 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.039 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 727' ' ' GLU . 0.8 OUTLIER -61.48 -45.93 92.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.671 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.64 ' CB ' ' CE1' ' A' ' 750' ' ' HIS . 0.6 OUTLIER -67.99 -41.31 82.51 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.693 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 745' ' ' LEU . 16.6 mm -70.86 -37.77 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.427 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 726' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 775' ' ' HIS . 36.0 t -59.65 -47.88 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.721 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 723' ' ' ASP . 1.3 mt-10 -62.14 -49.43 75.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 111.24 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 35.7 t -61.57 -35.71 78.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.381 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.838 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.82 -39.11 76.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 111.13 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -67.81 -31.93 72.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.65 -31.51 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.681 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.08 0.73 62.44 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.226 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.04 46.9 2.75 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.385 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.574 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 55.44 17.11 11.69 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.216 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.631 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.5 7.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.813 0.307 . . . . 0.0 110.863 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.844 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.5 mp -155.33 157.59 37.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -96.85 168.73 10.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 0.0 111.347 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.855 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.81 -47.48 31.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.008 -179.482 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.27 -45.75 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.576 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.5 mt-10 -70.61 -45.94 64.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.037 0.446 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 39.8 ttp180 -61.79 -45.11 95.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.106 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.2 pt20 -61.8 -39.37 91.5 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.6 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 744' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 748' ' ' LYS . 0.9 OUTLIER -68.47 -31.16 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.97 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 725' ' ' ILE . 7.0 mt -77.48 -42.36 36.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.541 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -63.78 -9.11 31.36 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.16 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 748' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 744' ' ' ASP . 9.8 mmmm -104.5 -9.46 18.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.898 0.349 . . . . 0.0 111.442 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.02 33.44 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.64 ' CE1' ' CB ' ' A' ' 724' ' ' ASP . 62.0 m80 -75.29 131.44 40.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.681 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.8 p -74.6 145.48 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.067 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -57.73 -39.69 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.1 82.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.03 -39.58 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.0 mt -67.68 -40.58 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.84 -36.16 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.95 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 109.583 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.538 HD13 HG23 ' A' ' 721' ' ' THR . 42.5 mt -60.83 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.439 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.855 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.79 -42.99 90.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.59 -44.38 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.469 0.652 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -57.6 -44.88 85.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.599 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 717' ' ' LEU . 56.2 m-85 -86.03 -39.84 16.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 5.7 t70 -69.91 62.22 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.245 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -20.94 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -82.26 -13.96 56.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.392 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.21 30.9 61.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -91.29 12.91 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 52.46 27.62 5.15 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.453 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.07 138.29 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.975 0.417 . . . . 0.0 111.395 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.662 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -109.97 128.09 55.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.713 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 20.0 p -121.12 174.28 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.318 0.58 . . . . 0.0 111.892 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -29.5 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.312 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -51.23 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.662 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.9 mt-10 -62.94 -37.39 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.563 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 775' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 726' ' ' SER . 0.5 OUTLIER -68.58 -34.57 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -47.14 80.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 777' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 778' ' ' MET . 0.0 OUTLIER -64.19 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.578 ' HG2' HG22 ' A' ' 722' ' ' VAL . 38.8 ttm -56.93 -52.85 63.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -42.95 99.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.777 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -45.14 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.552 ' OD2' HD11 ' A' ' 717' ' ' LEU . 11.2 t70 -60.7 -35.98 77.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -66.05 -35.83 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.04 -25.45 58.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.19 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -26.18 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -93.09 -33.0 14.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.41 22.63 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.548 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.57 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.054 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.52 19.39 10.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.22 -76.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.02 96.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 16.6 mt -149.04 82.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.54 28.17 16.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.1 m -58.87 171.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.67 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -125.05 144.13 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -129.07 157.97 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 719' ' ' LYS . . . . . 0.489 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -58.99 -20.68 55.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -71.67 -29.99 65.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' THR . . . . . 0.672 HG22 HD11 ' A' ' 725' ' ' ILE . 2.1 m -73.62 -49.5 25.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 722' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 778' ' ' MET . 20.8 t -55.73 -35.08 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.285 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -37.35 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.412 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 724' ' ' ASP . . . . . 0.633 ' HB3' ' CE1' ' A' ' 750' ' ' HIS . 48.2 m-20 -71.52 -47.59 54.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.672 HD11 HG22 ' A' ' 721' ' ' THR . 4.0 mt -70.9 -37.94 70.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.013 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 31.9 t -64.53 -47.86 77.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 727' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.7 pt-20 -59.08 -49.19 78.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.724 0.297 . . . . 0.0 111.025 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.1 m -68.08 -32.53 72.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.026 0.441 . . . . 0.0 110.33 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 729' ' ' LEU . . . . . 0.791 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -68.6 -41.11 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.586 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -31.89 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -31.32 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.285 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 732' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -80.84 -11.21 84.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.063 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.45 35.29 5.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.237 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 734' ' ' GLY . . . . . 0.791 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.02 -47.01 3.62 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.434 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -111.88 133.11 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 736' ' ' LEU . . . . . 0.796 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.8 OUTLIER -149.85 149.28 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.761 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -93.62 166.82 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 738' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.59 -44.39 26.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.864 -179.439 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.23 -46.63 73.22 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -70.48 -46.03 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.521 0.564 . . . . 0.0 112.521 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.4 tp -65.42 -45.51 83.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.229 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 742' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.4 OUTLIER -58.76 -44.04 90.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.231 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.12 -44.53 87.79 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.152 0.501 . . . . 0.0 109.917 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.02 -31.45 72.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.26 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.668 HD13 HG23 ' A' ' 755' ' ' ILE . 9.4 mt -77.29 -41.07 42.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.569 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -39.18 93.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.176 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.57 -13.7 61.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.526 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -93.76 -13.79 26.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 111.257 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.48 8.79 24.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.978 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 750' ' ' HIS . . . . . 0.633 ' CE1' ' HB3' ' A' ' 724' ' ' ASP . 71.3 m80 -82.78 135.21 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.8 p -80.68 155.66 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -59.4 -36.99 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.6 92.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.19 -42.89 83.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' ILE . . . . . 0.668 HG23 HD13 ' A' ' 745' ' ' LEU . 6.7 mt -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 756' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -67.72 -36.0 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.84 -50.15 63.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.111 0.482 . . . . 0.0 109.896 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' ILE . . . . . 0.642 HD13 HD11 ' A' ' 725' ' ' ILE . 67.6 mt -60.35 -45.81 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 759' ' ' PHE . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.63 -41.55 92.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.947 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 760' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 756' ' ' GLU . 19.4 p -68.35 -44.15 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.519 0.676 . . . . 0.0 109.971 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -44.89 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.745 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 762' ' ' TYR . . . . . 0.67 ' OH ' HD22 ' A' ' 717' ' ' LEU . 64.0 m-85 -86.11 -40.08 16.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 763' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.5 t70 -69.63 62.26 0.17 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.834 0.349 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -20.91 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.268 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -82.21 -14.15 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.358 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.94 30.35 60.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.808 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.22 16.57 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 768' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 28.1 mm-40 50.29 29.73 3.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -145.52 135.39 23.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.074 0.464 . . . . 0.0 111.595 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.752 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -106.58 126.47 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.576 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 771' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 772' ' ' GLU . 1.1 m -118.61 168.79 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.0 112.059 -178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 771' ' ' THR . 0.7 OUTLIER -49.46 -31.03 9.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.932 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.04 -49.47 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 774' ' ' GLU . . . . . 0.752 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.8 mt-10 -62.84 -40.9 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -65.93 -34.83 79.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.842 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -58.52 -40.88 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.73 -31.38 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 725' ' ' ILE . 29.4 ttm -56.93 -45.64 82.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -65.01 -44.47 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.85 -46.9 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.62 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 717' ' ' LEU . 0.2 OUTLIER -71.02 -36.22 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -75.68 -27.63 58.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -25.36 67.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -70.9 -38.37 73.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.62 -66.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -159.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 788' ' ' ASP . . . . . 0.693 ' HA ' HD12 ' A' ' 791' ' ' LEU . 19.2 t0 73.0 57.93 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.94 0.4 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.83 -31.79 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.65 50.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 791' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 788' ' ' ASP . 11.5 mt -126.85 76.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.919 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -26.72 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -65.65 -39.97 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.843 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -62.23 -49.32 76.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.79 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 782' ' ' LEU . 16.1 t -55.37 -37.68 45.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.532 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 32.6 m-20 -68.3 -45.19 73.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.72 HD11 HD13 ' A' ' 758' ' ' ILE . 4.7 mt -70.99 -37.76 69.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 7.4 t -62.06 -48.0 82.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.627 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.0 pt-20 -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 29.6 t -63.85 -33.4 75.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.226 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -37.47 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.67 -32.02 69.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -85.78 -11.03 74.85 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.957 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.31 41.36 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 63.13 11.49 39.2 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.288 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.5 OUTLIER -153.65 130.11 10.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.97 0.385 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.807 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.4 mp -156.88 154.74 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.788 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -96.1 167.81 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.845 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.75 -46.32 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.759 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -46.44 78.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.8 mt-10 -69.8 -45.94 66.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.28 -41.54 89.68 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.092 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.1 ttm-85 -61.39 -45.08 95.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.3 pt20 -62.09 -41.22 97.97 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.756 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.1 OUTLIER -67.25 -31.22 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.963 178.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.69 HD13 HG23 ' A' ' 755' ' ' ILE . 7.2 mt -77.69 -42.71 33.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.356 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -38.91 93.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.303 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.04 -11.91 59.35 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.556 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -11.44 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 111.278 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.5 4.16 28.68 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.998 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.551 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.5 m-70 -78.08 132.18 37.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.6 p -78.63 151.87 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.542 ' HA ' HD12 ' A' ' 755' ' ' ILE . 3.4 t70 -58.53 -39.68 80.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.02 83.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.82 99.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.69 HG23 HD13 ' A' ' 745' ' ' LEU . 7.1 mt -66.32 -41.18 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 760' ' ' THR . 1.0 OUTLIER -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.04 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.13 64.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.141 0.496 . . . . 0.0 109.829 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.843 HD11 HG21 ' A' ' 721' ' ' THR . 65.3 mt -61.33 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.845 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.67 -42.71 90.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.065 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 756' ' ' GLU . 33.4 p -68.48 -44.19 75.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.56 0.695 . . . . 0.0 110.015 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -47.73 78.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.739 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 71.2 m-85 -85.94 -37.16 19.35 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.2 t70 -69.49 62.26 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.873 0.368 . . . . 0.0 111.073 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -63.07 -27.03 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.33 -11.27 59.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.399 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.54 29.94 58.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.786 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -91.02 10.6 26.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.254 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 53.45 29.81 9.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.387 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.95 135.14 24.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.389 . . . . 0.0 111.399 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -107.29 125.81 51.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.833 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.6 OUTLIER -119.65 171.07 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.271 0.557 . . . . 0.0 111.884 -179.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.459 ' H ' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -49.96 -32.61 15.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.027 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -50.08 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.722 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.732 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.2 mt-10 -62.81 -40.36 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.65 -34.79 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -56.81 -43.82 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.697 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -60.23 -31.26 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.774 ' SD ' HG13 ' A' ' 722' ' ' VAL . 38.2 ttm -56.84 -53.15 61.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -63.44 -40.56 97.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.93 76.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -31.37 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.61 -35.96 70.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.617 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.752 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.776 ' HB3' HD21 ' A' ' 782' ' ' LEU . 5.9 pttt -55.64 -25.98 42.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -61.05 -49.64 76.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 758' ' ' ILE . 0.1 OUTLIER -58.36 -46.69 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.754 HG22 ' HG2' ' A' ' 778' ' ' MET . 17.3 t -55.37 -42.75 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.003 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.4 OUTLIER -59.73 -46.3 89.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.505 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.3 OUTLIER -63.53 -41.17 98.49 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.43 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 758' ' ' ILE . 20.2 mt -70.94 -37.72 69.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 10.3 p -57.65 -47.99 80.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.891 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 0.8 OUTLIER -68.29 -49.55 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.206 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -36.7 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.83 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.712 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.52 -31.95 72.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.447 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 727' ' ' GLU . 9.9 mm-40 -60.18 -37.61 80.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.94 7.09 67.25 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.154 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 89.58 48.85 3.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.39 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.651 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 52.58 22.94 12.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.024 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 23.6 mttt -153.58 125.78 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.841 ' HB2' HD13 ' A' ' 741' ' ' LEU . 2.8 mp -157.52 157.74 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -96.54 169.37 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.84 -47.85 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -44.97 83.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.795 ' HB3' HD23 ' A' ' 736' ' ' LEU . 3.2 mt-10 -69.7 -45.88 67.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.9 tp -67.04 -39.21 86.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 0.0 109.847 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 16.6 ttm-85 -62.15 -47.02 86.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.98 -41.83 97.17 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.63 -31.26 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.719 HD13 HG12 ' A' ' 755' ' ' ILE . 8.6 mt -79.09 -38.86 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.523 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -39.23 93.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.313 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.27 -14.32 68.67 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.538 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 750' ' ' HIS . 10.0 mptt -90.5 -13.22 35.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.408 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.71 5.83 33.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 745' ' ' LEU . 64.1 m-70 -84.17 140.02 32.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 110.674 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.06 163.25 17.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.477 . . . . 0.0 111.58 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 755' ' ' ILE . 7.8 m-20 -62.54 -34.98 78.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.39 . . . . 0.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.73 -42.2 82.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.719 HG12 HD13 ' A' ' 745' ' ' LEU . 7.4 mt -66.43 -42.8 90.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.13 -36.92 80.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 761' ' ' LYS . . . -65.81 -50.33 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.236 0.541 . . . . 0.0 110.034 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 721' ' ' THR . 79.3 mt -60.73 -44.93 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.283 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.85 -42.81 90.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.403 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 757' ' ' ALA . 14.3 t -68.51 -44.36 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.399 0.618 . . . . 0.0 110.325 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 757' ' ' ALA . 1.2 tmtm? -56.38 -47.86 78.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.591 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 778' ' ' MET . 69.9 m-85 -85.92 -35.56 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 51.0 t0 -68.89 62.22 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.62 -42.2 87.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.92 -13.25 61.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.339 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.21 37.47 72.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.883 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -88.65 10.16 21.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.26 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER 56.81 28.15 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.249 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -145.97 135.5 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.863 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -105.38 124.73 50.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.576 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 170.35 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.313 0.578 . . . . 0.0 112.08 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -48.07 -33.67 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.46 -49.13 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.863 ' OE1' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.94 -41.91 99.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -63.57 -35.38 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.62 68.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -59.48 -36.36 75.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.539 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.754 ' HG2' HG22 ' A' ' 722' ' ' VAL . 2.9 ttm -56.9 -55.01 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -44.6 84.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.425 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -46.94 77.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -33.33 75.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.288 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -71.21 -33.72 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -56.94 -26.88 60.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.7 -40.78 97.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.875 HG21 HD11 ' A' ' 758' ' ' ILE . 0.0 OUTLIER -63.07 -49.25 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 782' ' ' LEU . 21.2 t -55.65 -40.54 60.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.89 -41.29 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.416 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 14.5 m-20 -69.54 -44.63 70.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.808 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.755 HD11 HD13 ' A' ' 758' ' ' ILE . 5.2 mt -70.88 -37.73 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 18.7 t -62.85 -45.21 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.18 78.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 18.2 m -67.28 -32.53 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.314 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.803 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.6 tm? -67.02 -40.38 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.707 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -68.53 -31.84 71.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.17 -32.44 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.376 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.741 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -79.6 -11.06 85.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.06 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.36 35.17 6.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.988 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.803 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 86.49 -47.13 3.69 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.413 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.797 ' CG ' HG22 ' A' ' 771' ' ' THR . 1.7 ttpt -102.38 135.26 44.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.294 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -155.42 143.65 20.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.98 166.95 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.805 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -46.16 30.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.927 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.35 -46.55 76.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.626 ' HB3' HD23 ' A' ' 736' ' ' LEU . 16.7 mt-10 -70.18 -46.03 65.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.8 tp -65.35 -43.34 91.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 0.0 110.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 17.1 ttp180 -60.0 -44.74 94.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.469 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -58.26 -45.86 87.05 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.176 0.512 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -31.13 72.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 755' ' ' ILE . 6.7 mt -78.42 -43.51 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.679 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -63.33 -39.08 93.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.324 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -70.11 -8.85 62.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.594 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -10.03 25.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.581 0.229 . . . . 0.0 111.266 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 2.18 29.1 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.549 ' CD2' HD23 ' A' ' 745' ' ' LEU . 81.1 m-70 -82.98 136.85 34.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.62 156.21 25.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.6 p-10 -60.48 -37.24 80.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.18 87.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.2 -42.48 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.657 HG23 HD13 ' A' ' 745' ' ' LEU . 6.9 mt -66.88 -39.41 83.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.993 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.31 -36.14 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.19 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 109.943 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.875 HD11 HG21 ' A' ' 721' ' ' THR . 63.0 mt -60.3 -44.75 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.188 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.4 m-85 -65.62 -42.1 91.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.918 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 15.4 p -68.27 -44.12 76.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.403 0.62 . . . . 0.0 110.206 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -57.42 -46.22 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.687 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.417 ' HD2' ' O ' ' A' ' 758' ' ' ILE . 74.5 m-85 -86.06 -38.66 17.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -69.31 62.18 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -63.15 -29.28 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.256 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -74.53 -10.42 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.538 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 53.71 33.2 48.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.949 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -98.09 12.77 33.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 64.4 mm-40 49.84 36.52 11.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.438 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.29 126.7 14.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.96 0.41 . . . . 0.0 111.361 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.68 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -106.44 124.3 49.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.814 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.797 HG22 ' CG ' ' A' ' 735' ' ' LYS . 71.5 p -124.38 177.87 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.354 0.597 . . . . 0.0 111.878 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -52.23 -31.84 34.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.1 -51.17 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.736 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.68 ' OE2' HD12 ' A' ' 770' ' ' LEU . 3.0 mt-10 -63.01 -39.26 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.34 -34.62 76.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -56.81 -42.38 79.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.653 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.47 -31.32 69.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.597 ' SD ' HG13 ' A' ' 722' ' ' VAL . 28.6 ttm -56.88 -49.97 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.794 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -41.94 98.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.84 -46.91 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -70.79 -31.39 68.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.986 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 722' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -31.71 61.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.91 -49.6 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.845 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -66.85 -41.47 87.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 110.768 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 782' ' ' LEU . 94.2 t -55.44 -47.74 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.1 OUTLIER -61.38 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.584 179.535 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -59.34 -43.39 92.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.912 HD11 HD13 ' A' ' 758' ' ' ILE . 4.9 mt -70.95 -37.64 68.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.52 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.4 t -55.4 -47.88 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 1.0 OUTLIER -63.0 -49.39 74.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.068 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.0 t -61.95 -34.26 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.352 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.803 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.56 -38.91 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.65 -31.91 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.89 -36.77 72.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.708 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.99 -11.06 85.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.847 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 102.83 36.13 3.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.833 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.5 -52.49 4.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.958 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.48 136.88 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.341 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 729' ' ' LEU . 1.6 mp -155.41 154.0 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.667 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -108.94 175.5 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 111.633 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.789 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.61 -52.16 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.802 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . 0.401 ' HA ' ' NH1' ' A' ' 742' ' ' ARG . 9.2 m-20 -63.32 -47.09 83.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.446 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.8 OUTLIER -71.04 -46.23 62.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.719 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.1 tp -66.18 -42.84 88.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.997 0.427 . . . . 0.0 110.203 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 755' ' ' ILE . 12.8 ttm105 -60.56 -44.76 95.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.276 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -57.96 -45.5 86.58 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.072 0.463 . . . . 0.0 110.044 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -31.26 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.616 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 750' ' ' HIS . 5.8 mt -78.92 -38.79 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.803 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -63.39 -39.02 93.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.238 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -64.83 -14.12 57.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.473 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -14.06 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.525 0.203 . . . . 0.0 111.251 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.97 8.81 25.37 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.051 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 745' ' ' LEU . 92.3 m-70 -78.28 132.17 37.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 8.3 p -81.02 153.0 27.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.796 ' HA ' HD12 ' A' ' 755' ' ' ILE . 6.5 t70 -59.46 -38.28 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.986 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -39.39 89.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.637 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.3 mt -68.09 -40.06 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -36.71 80.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.15 -50.19 64.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.226 0.536 . . . . 0.0 109.816 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.912 HD13 HD11 ' A' ' 725' ' ' ILE . 59.5 mt -61.19 -47.64 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.47 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.818 ' HD1' HD22 ' A' ' 770' ' ' LEU . 0.8 OUTLIER -65.99 -42.52 89.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.473 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.8 t -68.16 -44.22 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.467 0.651 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -56.67 -48.54 77.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 778' ' ' MET . 68.2 m-85 -86.03 -37.37 18.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 15.7 t70 -68.11 62.22 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.17 -25.06 67.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.306 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -76.06 -11.67 59.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 62.56 27.35 69.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.843 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -97.72 15.91 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.648 0.261 . . . . 0.0 111.271 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 46.31 34.68 2.33 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.461 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.61 139.28 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.818 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.9 tp -118.12 135.64 54.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.545 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 46.5 p -124.79 176.15 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 112.028 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.62 -41.49 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.68 -51.08 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.402 ' CD ' HD12 ' A' ' 770' ' ' LEU . 46.0 mt-10 -62.95 -42.71 99.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -65.83 -34.75 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.77 -31.81 65.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.433 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.599 ' SD ' HG22 ' A' ' 722' ' ' VAL . 30.2 ttm -56.8 -45.79 82.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -44.56 88.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -46.9 76.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.79 -41.61 82.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.808 HD12 HG21 ' A' ' 722' ' ' VAL . 0.4 OUTLIER -59.39 -36.85 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 179.808 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 782' ' ' LEU . 3.8 mtmp? -58.51 -22.12 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -72.15 -30.48 65.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.657 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.58 -49.71 24.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.915 0.388 . . . . 0.0 111.003 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.472 HG21 HD12 ' A' ' 782' ' ' LEU . 21.0 t -55.64 -35.02 37.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.335 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.55 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.408 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 23.6 m-20 -66.3 -44.03 84.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.786 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.583 HD11 HD13 ' A' ' 758' ' ' ILE . 6.0 mt -70.76 -46.16 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . 0.443 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.5 t -58.82 -37.08 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.32 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 74.9 m -68.14 -32.71 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.593 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.661 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.5 -37.49 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -32.02 73.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.16 -27.67 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.743 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.0 -11.11 79.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 100.18 39.01 3.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.58 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.61 5.02 28.14 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.591 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.554 ' C ' HD12 ' A' ' 736' ' ' LEU . 15.1 pttt -153.71 132.05 12.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.281 0.54 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.892 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.0 mp -155.84 157.67 36.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.777 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -97.13 169.66 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.242 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.806 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -45.51 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.779 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -46.55 72.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.517 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.6 mm-40 -69.72 -46.24 66.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.892 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.43 -42.94 91.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.983 0.42 . . . . 0.0 110.116 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.0 OUTLIER -60.36 -43.58 96.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.698 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 744' ' ' ASP . 3.1 pt20 -62.82 -36.41 83.09 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.793 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . 0.531 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 3.3 m-20 -72.17 -31.34 65.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.024 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.662 HD13 HG23 ' A' ' 755' ' ' ILE . 6.9 mt -78.09 -44.02 27.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.423 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.89 92.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.312 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.38 -11.33 59.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.563 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.26 -10.65 23.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.566 0.222 . . . . 0.0 111.253 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 3.18 29.1 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.561 ' CD2' HD23 ' A' ' 745' ' ' LEU . 92.2 m-70 -78.86 133.37 37.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.4 p -79.38 152.97 30.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.57 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.1 p-10 -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.83 80.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.662 HG23 HD13 ' A' ' 745' ' ' LEU . 7.7 mt -67.49 -41.54 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 760' ' ' THR . 40.8 tt0 -65.13 -36.58 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.954 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.0 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 109.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 721' ' ' THR . 88.2 mt -60.81 -46.06 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.309 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.806 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.3 m-85 -65.61 -42.71 91.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.142 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 756' ' ' GLU . 30.6 p -68.46 -44.19 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.484 0.659 . . . . 0.0 110.065 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -57.79 -44.91 86.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.615 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 59.7 m-85 -86.08 -35.97 19.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 60.2 t0 -67.31 62.42 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.264 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 762' ' ' TYR . 8.3 pt20 -60.66 -41.49 95.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -71.95 -10.13 59.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.321 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.37 35.1 60.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.74 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -90.36 10.94 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.631 0.253 . . . . 0.0 111.206 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 38.8 mm-40 52.95 29.21 7.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -144.79 134.93 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 111.349 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 770' ' ' LEU . 3.7 tp -109.59 126.46 53.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.675 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 55.7 p -127.3 -179.43 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.289 0.566 . . . . 0.0 111.852 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 -38.35 56.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.37 -51.38 67.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.42 -39.16 93.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 41.3 t-80 -68.07 -34.82 77.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -59.64 -34.59 73.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -64.91 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 2.8 mtt -56.81 -47.27 80.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.68 85.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -47.06 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.37 -41.1 93.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.7 OUTLIER -56.85 -41.03 77.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.229 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.566 0.222 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -52.48 -34.0 47.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.575 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -65.14 -45.14 86.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.112 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.687 HG21 HD11 ' A' ' 758' ' ' ILE . 15.4 m -63.59 -49.2 74.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.106 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.794 HG21 HD12 ' A' ' 782' ' ' LEU . 62.3 t -55.35 -45.57 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.942 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -30.35 70.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.335 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 30.5 m-20 -65.9 -44.72 84.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.457 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.02 -37.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.69 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 0.4 OUTLIER -58.78 -48.05 82.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.0 pt-20 -59.57 -48.71 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 30.1 t -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.784 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -40.08 76.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.28 -32.77 74.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.661 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -95.92 7.03 67.28 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.024 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.24 48.54 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.429 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.594 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.34 19.07 7.81 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.216 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.593 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.97 7.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.82 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.3 mp -156.45 160.02 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -99.38 170.0 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.815 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.92 -51.96 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.947 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.14 -46.58 86.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.507 ' HB3' HD23 ' A' ' 736' ' ' LEU . 9.2 mt-10 -68.54 -46.04 70.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.84 -39.15 90.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.012 0.434 . . . . 0.0 110.082 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.0 ttp180 -60.93 -46.84 89.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -58.05 -45.98 86.12 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.163 0.506 . . . . 0.0 109.841 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -31.06 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.325 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.669 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.38 -41.44 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.527 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.11 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.151 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.41 -14.1 59.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.486 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -11.68 23.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.568 0.223 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.37 8.01 25.64 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.903 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.549 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.8 m-70 -81.41 134.31 35.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 755' ' ' ILE . 6.5 p -84.94 159.89 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -38.17 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.67 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -46.44 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.669 HG23 HD13 ' A' ' 745' ' ' LEU . 10.0 mt -63.82 -37.92 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 760' ' ' THR . 40.7 tt0 -67.64 -35.68 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.264 0.554 . . . . 0.0 109.799 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 721' ' ' THR . 54.1 mt -59.62 -45.86 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.32 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.815 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 2.0 m-85 -65.94 -41.82 90.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.102 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.8 p -68.46 -44.16 75.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.492 0.663 . . . . 0.0 110.18 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -46.86 86.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.788 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.504 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 58.8 m-85 -86.04 -39.96 16.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 4.7 t70 -70.15 62.23 0.21 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.327 . . . . 0.0 110.957 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -66.65 -23.62 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.8 p30 -78.28 -7.83 57.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.359 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.41 21.88 28.75 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.867 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -82.92 0.67 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 111.226 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.412 ' OE1' ' CE2' ' A' ' 738' ' ' PHE . 16.4 mm-40 58.91 30.38 20.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -141.93 128.07 19.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 111.319 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.696 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -100.51 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -117.41 167.39 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.314 0.578 . . . . 0.0 112.091 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -46.28 -29.84 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.61 -47.14 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.696 ' OE2' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.96 -41.82 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.613 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 40.5 t-80 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -58.87 -32.25 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.36 -31.53 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.613 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 6.5 mtt -60.63 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.75 90.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -42.8 88.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.47 -45.43 93.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.253 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 722' ' ' VAL . 1.1 tt -62.11 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.119 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 782' ' ' LEU . 15.8 mtpt -57.9 -21.61 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.22 -49.46 67.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -49.1 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 782' ' ' LEU . 62.1 t -55.33 -45.95 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.21 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -42.18 98.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.94 0.4 . . . . 0.0 110.575 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.62 -39.36 94.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 758' ' ' ILE . 8.1 mt -70.91 -40.88 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 1.7 m -60.24 -42.57 95.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -49.22 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 34.8 m -66.39 -32.66 74.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.55 -37.74 77.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.06 73.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -77.5 -26.92 51.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.371 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -83.15 -11.23 81.35 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.154 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.86 37.27 4.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.172 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 85.57 -50.25 4.3 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.203 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.822 ' HD3' HG22 ' A' ' 771' ' ' THR . 23.6 mttm -102.27 125.35 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.825 ' CB ' HD13 ' A' ' 741' ' ' LEU . 4.6 mm? -132.07 135.96 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -88.93 164.76 15.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.439 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.8 -45.37 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.559 -179.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -46.43 78.59 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 29.3 mm-40 -69.07 -45.81 69.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.7 tp -66.16 -41.48 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.007 0.432 . . . . 0.0 110.085 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.6 ttm180 -62.13 -46.99 86.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 5.6 pt20 -60.24 -40.52 90.53 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.956 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.7 m-20 -68.47 -31.25 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.938 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.84 -40.54 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.553 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -39.19 93.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.273 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.25 -13.44 64.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.614 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -14.61 22.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 111.333 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.54 5.91 27.48 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.936 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 745' ' ' LEU . 79.7 m-70 -79.01 132.68 36.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 754' ' ' GLU . 12.4 p -79.71 154.59 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -60.24 -35.82 76.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.05 -48.07 81.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 755' ' ' ILE . 6.4 pt-20 -67.26 -37.42 83.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.989 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 745' ' ' LEU . 9.2 mt -70.21 -41.01 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.617 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.91 -34.0 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 760' ' ' THR . . . -67.42 -50.09 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.079 0.466 . . . . 0.0 109.873 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 725' ' ' ILE . 54.5 mt -62.7 -44.97 99.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.3 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.85 -42.87 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.155 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 757' ' ' ALA . 7.7 t -68.68 -44.1 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.429 0.633 . . . . 0.0 110.264 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -56.29 -46.04 79.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.735 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.407 ' HD2' ' O ' ' A' ' 758' ' ' ILE . 71.1 m-85 -86.07 -36.94 19.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 52.3 t0 -67.7 62.35 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 111.35 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.27 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -85.66 -14.1 46.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.373 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.65 42.83 78.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.195 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -94.35 17.34 13.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 6.6 mp0 56.27 20.64 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.541 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -146.14 144.57 30.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.2 tp -111.66 130.87 55.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.731 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.822 HG22 ' HD3' ' A' ' 735' ' ' LYS . 26.5 p -112.79 162.5 15.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.262 0.553 . . . . 0.0 111.92 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.01 -30.77 11.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.043 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -68.38 -48.42 64.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.86 -41.01 99.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -68.35 -34.54 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -56.63 -34.43 67.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.5 -31.38 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.602 ' SD ' HG13 ' A' ' 722' ' ' VAL . 46.3 ttm -56.9 -50.43 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.5 92.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.11 -43.78 86.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -39.09 82.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 722' ' ' VAL . 1.3 tt -59.46 -45.82 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.754 ' HG3' HD22 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -57.53 -24.29 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.076 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.21 -27.49 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.392 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.797 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.66 -49.57 25.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.034 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.11 -34.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -44.59 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.408 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 28.2 m-20 -66.16 -40.14 90.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.71 HD13 HD21 ' A' ' 745' ' ' LEU . 13.2 mm -70.98 -47.74 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -47.91 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.841 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.5 pt-20 -56.25 -49.14 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.9 m -67.49 -32.83 73.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.884 0.373 . . . . 0.0 110.608 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.709 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.55 -37.42 77.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -66.1 -31.87 73.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.88 -28.57 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -83.43 -11.14 80.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.943 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.2 5.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.016 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 83.8 -45.24 3.44 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.598 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.741 ' CG ' HG23 ' A' ' 771' ' ' THR . 12.4 mttt -102.38 134.76 45.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 111.416 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.775 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.5 OUTLIER -156.46 145.46 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.754 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -94.31 167.11 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.315 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.824 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.6 -45.07 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.698 -179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.42 -46.48 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.596 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -68.99 -45.96 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.697 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.0 tp -65.45 -43.53 90.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.248 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 25.6 ttp180 -59.35 -44.15 92.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.311 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -46.04 87.58 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -31.29 72.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.243 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 725' ' ' ILE . 10.5 mt -78.1 -39.94 39.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.559 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -39.02 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.201 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.93 63.74 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.529 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -95.14 -14.07 24.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.638 0.256 . . . . 0.0 111.27 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.51 6.24 29.19 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.472 ' CG ' HD22 ' A' ' 745' ' ' LEU . 86.4 m-70 -79.63 133.92 36.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 155.24 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.4 p-10 -58.74 -36.49 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.02 92.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.28 -41.42 85.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.657 HG12 HD13 ' A' ' 745' ' ' LEU . 9.6 mt -68.0 -41.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.56 -35.98 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.159 0.504 . . . . 0.0 110.001 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 721' ' ' THR . 81.3 mt -60.83 -45.34 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.295 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.824 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.75 -42.48 90.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.94 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 756' ' ' GLU . 24.4 p -68.33 -44.32 75.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.31 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.8 -47.16 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.584 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 73.6 m-85 -85.99 -36.67 19.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 49.0 t0 -68.21 62.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.793 0.33 . . . . 0.0 111.315 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.65 -33.53 71.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -80.11 -13.83 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.56 39.56 75.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.007 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -90.39 12.64 17.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.61 0.243 . . . . 0.0 111.153 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.0 OUTLIER 55.3 24.15 6.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.438 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -146.02 140.36 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.1 tp -111.8 129.68 56.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.958 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.741 HG23 ' CG ' ' A' ' 735' ' ' LYS . 3.0 m -118.77 167.12 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.178 0.513 . . . . 0.0 111.686 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.41 ' H ' HG22 ' A' ' 771' ' ' THR . 2.5 tt0 -50.08 -30.54 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.51 -51.1 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.451 ' OE1' HD12 ' A' ' 770' ' ' LEU . 14.0 mt-10 -63.02 -37.39 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.639 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 729' ' ' LEU . 7.3 t-80 -66.89 -36.04 81.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.83 -33.63 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.45 -31.25 70.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 57.3 mtp -56.95 -54.9 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.023 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -43.69 98.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -47.09 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.59 -42.0 98.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.238 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.754 HD22 ' HG3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -58.78 -39.02 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.304 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.958 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.779 0.324 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.743 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -55.72 -28.89 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.333 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -27.04 66.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.285 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.543 ' CG2' HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -70.64 -49.67 45.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.549 HG21 HD12 ' A' ' 782' ' ' LEU . 61.6 t -55.94 -35.65 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.55 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.415 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 42.5 m-20 -66.12 -45.34 81.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.06 -37.92 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 -48.01 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.814 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -61.4 -49.3 77.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.17 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.2 m -67.27 -32.51 73.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.965 0.412 . . . . 0.0 110.392 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.819 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.4 tm? -69.38 -42.79 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.842 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -65.62 -31.98 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -26.45 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.609 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -81.87 -11.19 83.07 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.222 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 98.73 32.92 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.819 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 88.68 -44.44 3.15 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.533 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.69 137.51 54.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.001 0.4 . . . . 0.0 111.409 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.795 ' HB2' HD13 ' A' ' 741' ' ' LEU . 1.5 mt -146.31 153.69 40.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.765 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.96 166.37 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.822 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.69 -45.41 28.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.851 -179.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.61 -46.55 75.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.6 -45.96 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 736' ' ' LEU . 6.1 tp -64.75 -45.46 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.08 0.467 . . . . 0.0 110.247 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.5 OUTLIER -59.31 -44.37 92.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.368 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -57.93 -44.24 86.77 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.157 0.503 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.08 -31.19 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.267 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 755' ' ' ILE . 8.3 mt -76.96 -42.22 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.471 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -63.49 -39.02 93.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.99 -14.59 61.42 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.442 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -95.35 -12.59 25.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.609 0.243 . . . . 0.0 111.203 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 7.83 25.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.965 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.499 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.7 m-70 -81.83 134.3 35.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 71.7 p -82.76 158.01 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -59.47 -36.71 76.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -43.11 97.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 745' ' ' LEU . 7.8 mt -66.25 -41.07 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.242 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.49 -34.19 77.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.02 63.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 109.759 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.543 HD11 ' CG2' ' A' ' 721' ' ' THR . 80.9 mt -61.16 -47.12 94.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.822 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -65.87 -43.03 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.381 -179.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.7 t -68.71 -44.31 74.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.468 0.652 . . . . 0.0 110.089 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -57.45 -43.89 84.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.457 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.523 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 44.9 m-85 -86.19 -39.97 16.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 7.5 t70 -69.4 62.29 0.15 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 111.361 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -24.25 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -79.01 -11.2 60.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.406 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.75 29.43 58.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.884 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -94.46 17.25 13.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 46.92 28.74 0.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -140.37 131.53 26.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 111.427 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.763 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -103.4 122.73 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.512 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -116.99 168.86 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.258 0.551 . . . . 0.0 111.967 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -48.38 -29.47 4.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.98 -49.84 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.4 mt-10 -62.87 -39.79 95.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.584 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 58.7 t-80 -68.11 -34.83 77.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.65 -35.05 76.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -64.8 -31.81 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.584 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 9.0 mtt -58.03 -47.71 82.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -44.59 95.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -46.84 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -29.16 68.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -70.89 -34.53 71.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.12 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.594 -179.693 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.6 tttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.436 ' N ' HD21 ' A' ' 782' ' ' LEU . 1.5 tttt -60.44 -19.52 56.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -67.64 -42.5 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -49.4 65.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.642 HG21 HD13 ' A' ' 782' ' ' LEU . 50.1 t -55.81 -40.87 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -44.03 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.571 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 24.4 m-20 -64.78 -40.77 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.762 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.704 HD11 HD13 ' A' ' 758' ' ' ILE . 13.9 mt -71.09 -45.82 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 775' ' ' HIS . 15.1 m -55.33 -48.03 74.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.747 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.5 pt-20 -59.79 -49.05 79.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.519 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 75.2 m -66.52 -32.82 74.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.61 -37.36 76.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 110.882 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.49 -31.96 73.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -34.06 60.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.737 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.9 -11.17 85.66 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.127 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.17 35.37 4.79 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.994 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 81.75 -53.54 4.72 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.399 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.619 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -102.41 130.3 49.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 111.354 -179.36 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.737 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.4 mt -147.32 151.05 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -94.77 167.6 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.303 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.813 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.68 -45.85 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.909 -179.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.32 -46.55 76.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.09 -45.94 65.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.5 tp -65.03 -44.25 89.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.027 0.442 . . . . 0.0 110.255 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 10.6 ttp180 -59.72 -44.79 93.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.438 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -57.97 -45.33 86.89 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.232 0.539 . . . . 0.0 109.862 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -31.29 72.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.174 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -76.89 -40.97 45.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.488 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -39.06 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.224 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.34 -13.02 59.69 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.769 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -12.69 22.62 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.81 -0.23 . . . . 0.0 111.381 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.73 7.38 27.67 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.97 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.55 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.5 m-70 -80.33 133.74 35.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.9 p -80.94 155.33 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.11 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -59.06 -36.29 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.26 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -67.04 -41.99 85.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 745' ' ' LEU . 9.0 mt -67.59 -40.86 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.91 -35.38 78.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.94 -50.21 63.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.129 0.49 . . . . 0.0 109.935 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 725' ' ' ILE . 68.4 mt -60.91 -45.48 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.179 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.813 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.6 m-85 -65.69 -42.53 91.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.021 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 756' ' ' GLU . 38.7 p -68.23 -44.17 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.449 0.642 . . . . 0.0 110.187 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -57.65 -46.95 83.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.8 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 778' ' ' MET . 68.5 m-85 -85.98 -38.73 17.63 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -68.62 62.21 0.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.688 0.28 . . . . 0.0 111.348 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.55 -19.94 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.1 -12.94 57.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.457 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.55 24.1 55.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.765 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 48.3 p30 -83.69 1.77 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 0.0 111.406 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 61.16 26.96 16.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -146.11 140.92 27.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 111.141 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.551 HD12 ' OE1' ' A' ' 774' ' ' GLU . 2.8 tp -110.63 129.12 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.73 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.47 167.81 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 111.95 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 771' ' ' THR . 7.3 tt0 -49.45 -32.15 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -66.49 -49.6 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.551 ' OE1' HD12 ' A' ' 770' ' ' LEU . 1.9 mt-10 -62.98 -41.26 99.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 66.0 t-80 -64.14 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.727 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.0 66.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 21.2 mtt -56.77 -44.22 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -44.49 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.312 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.1 -46.94 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -42.68 96.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -62.31 -34.93 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 32.7 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.319 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.458 ' HG2' HD22 ' A' ' 782' ' ' LEU . 0.9 OUTLIER -57.79 -22.52 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.6 -41.1 80.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.683 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -67.12 -49.5 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.403 . . . . 0.0 110.866 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.597 HG21 HD12 ' A' ' 782' ' ' LEU . 22.0 t -55.4 -38.74 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.119 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -35.38 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.888 0.375 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 28.1 m-20 -68.65 -44.05 74.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 721' ' ' THR . 3.4 mt -70.97 -37.86 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.749 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . 0.452 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.2 t -62.0 -47.85 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.634 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -59.22 -46.58 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.192 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 32.4 m -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.66 -37.4 76.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.28 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.96 -30.14 66.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -94.87 6.99 70.12 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.07 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.5 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 56.98 16.34 17.71 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.312 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.65 125.46 7.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.998 0.399 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.833 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -153.11 158.01 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.39 168.19 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 111.601 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.857 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -46.17 30.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.044 -179.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.55 -46.6 72.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.621 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.7 OUTLIER -69.92 -45.96 66.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.8 tp -64.76 -45.23 87.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.059 0.457 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -58.92 -43.43 91.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.184 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.86 -45.29 86.54 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.224 0.535 . . . . 0.0 109.811 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.04 -31.32 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.143 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 755' ' ' ILE . 7.7 mt -75.52 -44.78 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -63.41 -38.9 92.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -12.83 61.65 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 -11.54 22.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.601 0.239 . . . . 0.0 111.238 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.63 3.24 28.83 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.92 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 745' ' ' LEU . 88.2 m-70 -77.09 130.93 38.05 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.825 0.312 . . . . 0.0 110.811 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.21 151.63 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' A' ' 755' ' ' ILE . 23.8 t70 -57.43 -39.7 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.262 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.28 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.363 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -39.68 94.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 745' ' ' LEU . 8.6 mt -67.63 -43.35 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.07 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.245 0.545 . . . . 0.0 109.87 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 721' ' ' THR . 56.2 mt -61.92 -46.43 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.367 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.857 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.83 -43.06 89.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.303 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.0 t -68.68 -44.27 74.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.526 0.679 . . . . 0.0 110.179 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -55.74 -48.55 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.792 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.59 ' CD2' ' HE3' ' A' ' 778' ' ' MET . 69.7 m-85 -85.97 -35.39 20.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 10.6 t70 -68.87 62.24 0.11 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -65.63 -21.0 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.253 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -80.51 -12.75 59.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.33 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.76 25.66 56.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.693 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -90.97 10.88 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.695 0.283 . . . . 0.0 111.24 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 51.09 34.0 10.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.335 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -145.72 133.92 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.681 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -106.6 125.12 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 34.9 p -119.55 171.02 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 0.0 111.924 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.34 -34.51 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -48.33 73.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.681 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.8 mt-10 -62.86 -41.26 99.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 726' ' ' SER . 39.2 t-80 -63.22 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.782 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -68.56 -31.47 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.601 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.59 ' HE3' ' CD2' ' A' ' 762' ' ' TYR . 13.0 mtp -63.01 -55.16 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -65.65 -41.56 92.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.376 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -46.98 79.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.635 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.04 -32.72 74.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 722' ' ' VAL . 1.7 tt -61.41 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . 0.438 ' C ' HD21 ' A' ' 782' ' ' LEU . 4.0 mtpm? . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.886 0.374 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -19.42 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -40.43 85.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.272 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.6 OUTLIER -73.61 -49.33 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.174 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.602 ' CG2' HD23 ' A' ' 782' ' ' LEU . 31.3 t -55.73 -41.25 64.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -44.58 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 38.6 m-20 -68.74 -44.37 73.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.869 HD11 HD13 ' A' ' 758' ' ' ILE . 4.8 mt -71.07 -37.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.8 t -63.36 -47.95 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.633 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -59.24 -49.21 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 9.3 m -67.5 -32.54 73.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.265 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.804 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.0 tm? -69.28 -40.99 77.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -32.22 72.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.54 -24.93 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.906 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.88 -11.27 85.57 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.215 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.76 7.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.333 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.804 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.62 -44.29 3.25 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.459 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -116.14 128.92 56.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.924 0.393 . . . . 0.0 111.439 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.906 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.1 mt -145.94 155.08 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.71 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 769' ' ' GLU . 24.2 p30 -110.05 178.3 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.888 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.6 -52.24 18.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.01 -46.89 85.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.513 ' HB3' HD23 ' A' ' 736' ' ' LEU . 21.0 mt-10 -70.72 -46.12 63.67 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.08 -41.07 91.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.899 ' HG3' HD13 ' A' ' 755' ' ' ILE . 8.1 ttt180 -60.24 -46.11 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.96 -45.98 85.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.058 0.456 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -31.25 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.54 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 750' ' ' HIS . 6.8 mt -77.54 -40.53 42.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.697 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' A' ' 742' ' ' ARG . 0.0 OUTLIER -63.24 -39.01 93.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.215 -179.104 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -62.53 -16.2 54.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.263 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -97.94 -13.46 21.15 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.607 0.241 . . . . 0.0 111.352 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 106.24 9.97 30.64 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.147 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.562 ' CD2' HD23 ' A' ' 745' ' ' LEU . 94.4 m-70 -75.74 132.28 40.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.818 0.342 . . . . 0.0 110.962 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.0 p -80.39 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.111 0.482 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.88 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.9 p-10 -57.31 -37.71 72.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -56.85 -46.65 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -39.19 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.899 HD13 ' HG3' ' A' ' 742' ' ' ARG . 8.3 mt -66.83 -41.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 760' ' ' THR . 22.8 tt0 -67.25 -37.61 83.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.08 67.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 109.877 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.869 HD13 HD11 ' A' ' 725' ' ' ILE . 72.6 mt -60.84 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.716 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.9 OUTLIER -65.95 -42.51 89.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.202 -179.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 756' ' ' GLU . 43.7 p -68.03 -44.14 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.715 . . . . 0.0 109.461 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.63 -48.64 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.502 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.408 ' OH ' ' HA ' ' A' ' 778' ' ' MET . 65.0 m-85 -85.93 -40.15 16.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 13.1 t0 -70.6 62.26 0.25 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.24 -38.59 77.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 765' ' ' ASP . 11.1 p-10 -70.96 -8.71 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.42 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.09 38.84 90.94 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.884 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.97 12.48 30.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.508 0.194 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 49.17 27.29 1.75 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 737' ' ' ASN . 5.2 tt0 -142.15 135.89 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 0.0 111.069 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.773 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.4 tp -117.22 133.47 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.665 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 58.2 p -125.77 -179.52 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 0.0 112.029 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.82 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.203 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.45 -51.34 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.656 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.458 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 56.7 t-80 -68.4 -35.03 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -56.8 -34.28 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.598 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -68.51 -31.43 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.561 ' HG2' HG22 ' A' ' 722' ' ' VAL . 4.7 ttp -57.36 -50.4 73.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -38.34 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.69 88.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -29.2 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 722' ' ' VAL . 0.0 OUTLIER -70.5 -40.12 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -24.08 7.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.477 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -64.81 -49.6 70.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 758' ' ' ILE . 0.0 OUTLIER -58.44 -33.7 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.271 0.558 . . . . 0.0 110.252 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.885 ' CG2' HD13 ' A' ' 782' ' ' LEU . 56.2 t -69.18 -49.84 58.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.285 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -31.24 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 43.2 m-20 -65.36 -48.68 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.962 HD13 ' HE2' ' A' ' 778' ' ' MET . 9.9 mt -71.22 -38.53 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' A' ' 775' ' ' HIS . 15.8 p -58.63 -47.96 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.122 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 15.2 pt-20 -59.4 -49.12 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.53 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 44.5 t -65.49 -33.2 75.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.716 0.293 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.72 -39.58 76.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.76 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.71 -31.98 73.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.81 -33.16 73.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.176 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.77 -11.04 74.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.11 48.42 2.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.83 11.87 58.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.995 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.887 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -153.57 131.8 11.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.784 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -157.64 150.68 23.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.685 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.18 167.6 10.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.45 . . . . 0.0 111.465 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.817 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.96 -52.03 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.05 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.5 -46.63 87.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.679 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.0 OUTLIER -70.59 -45.69 64.88 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.784 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.3 tp -65.48 -41.39 93.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.994 0.425 . . . . 0.0 110.111 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 1.5 ttt180 -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.5 pt20 -61.98 -40.56 96.03 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -31.19 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.986 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.654 HD13 HG23 ' A' ' 755' ' ' ILE . 8.4 mt -77.13 -43.82 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.88 92.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.175 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.62 -12.86 57.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.416 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -9.32 26.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.681 0.277 . . . . 0.0 111.208 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.65 5.54 27.59 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.877 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.474 ' CD2' HD23 ' A' ' 745' ' ' LEU . 96.2 m-70 -80.05 132.31 35.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 755' ' ' ILE . 2.1 m -80.84 155.83 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.0 p-10 -59.58 -39.91 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.18 -43.31 95.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.654 HG23 HD13 ' A' ' 745' ' ' LEU . 6.6 mt -67.3 -37.98 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 760' ' ' THR . 0.3 OUTLIER -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.067 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.17 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.273 0.558 . . . . 0.0 109.671 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 721' ' ' THR . 88.1 mt -58.87 -47.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.423 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.817 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.94 -41.03 91.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.143 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.6 p -68.45 -44.31 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.483 0.659 . . . . 0.0 110.315 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -58.14 -47.86 82.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.961 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 778' ' ' MET . 62.4 m-85 -86.01 -36.79 19.53 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 28.4 t0 -69.67 62.24 0.17 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.66 -40.8 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.87 -11.73 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.21 35.83 55.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.019 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -88.31 9.51 22.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.298 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.7 OUTLIER 56.78 27.49 12.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.319 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -145.9 132.72 20.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 111.349 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.62 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.3 tp -105.0 124.02 48.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.887 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.56 168.59 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.261 0.553 . . . . 0.0 112.008 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 771' ' ' THR . 9.5 pt-20 -47.79 -31.73 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.95 -50.34 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.62 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -63.04 -40.51 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.661 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 778' ' ' MET . 29.3 t-80 -64.55 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -56.46 -30.54 63.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -67.08 -31.29 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.962 ' HE2' HD13 ' A' ' 725' ' ' ILE . 0.1 OUTLIER -56.93 -54.35 47.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.03 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -44.53 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -46.89 76.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.045 0.45 . . . . 0.0 110.933 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.94 -35.07 79.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.164 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.885 HD13 ' CG2' ' A' ' 722' ' ' VAL . 0.5 OUTLIER -71.29 -40.98 70.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.419 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.183 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . 0.699 ' C ' HD11 ' A' ' 782' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.904 0.383 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.606 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -58.73 -27.2 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.163 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.21 -28.66 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.777 HG22 HD11 ' A' ' 725' ' ' ILE . 3.1 m -70.09 -49.52 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.708 HG22 ' HG2' ' A' ' 778' ' ' MET . 13.4 t -55.55 -35.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -36.88 84.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.475 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 39.0 m-20 -72.53 -44.79 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 721' ' ' THR . 4.6 mt -71.0 -42.49 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 8.4 t -63.66 -47.94 79.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.781 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 21.5 pt-20 -56.47 -41.78 77.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.447 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 58.7 m -73.43 -32.74 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 110.445 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.58 -37.37 76.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.84 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -31.95 73.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -30.38 57.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.248 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.37 -11.14 78.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.042 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.88 41.21 2.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.731 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 64.6 5.71 18.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.841 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.486 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.4 ptmm? -153.64 133.59 13.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.495 0.647 . . . . 0.0 111.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.8 mp -156.69 156.24 33.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -93.85 168.62 10.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.821 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -45.06 29.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.44 -46.5 76.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.751 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.2 mm-40 -69.95 -45.94 66.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.32 -42.66 87.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.003 0.43 . . . . 0.0 110.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.9 ttm180 -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -62.88 -39.75 95.4 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.66 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.2 m-20 -67.95 -31.3 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.902 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.616 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -78.62 -40.84 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.328 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -39.04 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.251 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.74 62.4 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.37 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 -13.39 24.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.71 0.29 . . . . 0.0 111.208 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.51 4.29 28.61 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.529 ' CD2' HD23 ' A' ' 745' ' ' LEU . 88.0 m-70 -79.39 133.84 36.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 14.8 p -80.47 154.02 27.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -58.0 -35.98 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.7 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -41.79 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.492 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.616 HG23 HD13 ' A' ' 745' ' ' LEU . 11.0 mt -67.28 -39.78 83.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -67.71 -33.93 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.46 64.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.227 0.537 . . . . 0.0 109.77 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.431 HD13 HD11 ' A' ' 725' ' ' ILE . 60.8 mt -61.57 -48.11 90.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.374 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.821 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.66 -42.95 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.265 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.2 t -68.52 -44.15 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.467 0.651 . . . . 0.0 110.021 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -58.53 -43.67 89.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.611 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 53.7 m-85 -86.12 -39.82 16.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 39.0 t0 -68.09 62.3 0.08 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.765 0.317 . . . . 0.0 111.372 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -57.59 -33.76 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.68 -12.59 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.311 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.59 42.86 78.01 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.032 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -90.76 14.14 14.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 111.278 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 56.16 21.61 5.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.584 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -146.07 142.16 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.039 0.447 . . . . 0.0 111.552 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.673 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.744 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.4 OUTLIER -119.85 171.33 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.229 0.537 . . . . 0.0 111.896 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 771' ' ' THR . 1.7 mt-10 -52.12 -33.23 38.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.12 -50.99 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.673 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.0 mt-10 -63.57 -39.69 95.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.743 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -68.67 -34.82 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 39.9 tp60 -56.93 -38.57 73.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.82 -31.43 70.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.191 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.708 ' HG2' HG22 ' A' ' 722' ' ' VAL . 5.0 ttp -56.91 -55.46 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.894 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 1.0 OUTLIER -62.32 -37.62 86.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.401 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -45.11 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -33.03 74.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.3 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.699 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -70.91 -35.86 72.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.564 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 179.438 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.876 0.369 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -23.64 33.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.232 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -67.39 -30.33 70.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.786 HG22 HD11 ' A' ' 725' ' ' ILE . 38.0 m -66.76 -49.39 66.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 0.0 110.666 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.5 t -55.61 -34.81 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.45 -45.74 90.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.434 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.6 OUTLIER -71.12 -46.67 61.22 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.059 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 721' ' ' THR . 6.9 mt -65.23 -47.84 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 23.1 t -57.22 -46.34 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -49.1 79.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.989 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 45.4 t -65.98 -32.68 74.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.485 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.7 -39.04 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 179.766 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -31.99 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -66.29 -31.15 71.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.479 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -91.87 -11.01 60.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.873 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.0 48.28 1.77 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.533 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.485 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 65.09 10.82 49.07 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.192 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 131.78 11.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.994 0.397 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.702 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.3 OUTLIER -157.58 153.34 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.77 165.31 12.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.137 0.494 . . . . 0.0 111.602 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.86 -47.42 31.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.055 -179.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -46.62 77.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.571 ' HB3' HD23 ' A' ' 736' ' ' LEU . 18.8 mt-10 -70.4 -45.87 65.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.702 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.4 tp -63.97 -45.38 89.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.351 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 755' ' ' ILE . 20.7 ttp180 -59.77 -44.03 94.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.367 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.9 -42.87 85.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.232 0.539 . . . . 0.0 109.762 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.26 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.255 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 755' ' ' ILE . 5.9 mt -76.49 -43.64 38.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.522 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -38.93 93.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.3 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.7 -11.29 57.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.694 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -11.24 21.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.28 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.29 4.12 29.07 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.922 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.601 ' CD2' HD23 ' A' ' 745' ' ' LEU . 91.3 m-70 -79.09 133.39 36.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.8 p -77.85 150.48 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.616 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.5 t70 -58.86 -38.54 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.73 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.71 -40.51 95.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 745' ' ' LEU . 8.7 mt -67.93 -40.39 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tp10 -66.31 -36.74 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.32 -50.14 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.111 0.482 . . . . 0.0 109.86 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.92 -46.71 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.829 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.65 -42.64 91.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.149 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.1 p -68.24 -44.34 75.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.493 0.664 . . . . 0.0 110.247 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -46.16 84.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.602 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 66.3 m-85 -85.92 -39.48 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.3 t70 -69.52 62.31 0.16 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.789 0.328 . . . . 0.0 111.308 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -64.22 -19.95 65.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.326 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -83.37 -14.0 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.07 29.46 62.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.881 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -90.13 11.09 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.298 . . . . 0.0 111.363 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 54.38 28.34 9.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.41 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -146.0 137.65 24.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 111.421 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.671 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.4 tp -108.7 127.81 54.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.508 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 44.0 p -123.81 178.42 5.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.379 0.609 . . . . 0.0 112.193 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -35.27 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.235 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -51.2 64.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.671 ' OE1' HD12 ' A' ' 770' ' ' LEU . 3.4 mt-10 -63.47 -40.19 96.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -66.32 -34.83 78.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 0.0 OUTLIER -56.86 -37.74 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -68.68 -31.37 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.62 ' HE1' HG21 ' A' ' 725' ' ' ILE . 32.7 ttm -56.98 -55.29 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.713 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER -65.57 -38.4 89.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.999 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -46.89 76.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.495 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.09 -28.98 64.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.435 -179.502 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . 0.694 ' C ' HD11 ' A' ' 782' ' ' LEU . 2.1 mppt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -59.62 -26.06 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.265 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.58 -34.27 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.168 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -68.29 -49.22 61.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.4 t -55.72 -34.9 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.414 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.51 -39.88 89.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 30.7 m-20 -72.09 -44.55 63.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 758' ' ' ILE . 4.0 mt -71.05 -37.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 12.3 t -65.95 -48.01 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.558 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -58.48 -48.88 79.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.017 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -32.68 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -69.78 -41.21 75.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.678 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -31.99 72.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.735 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.27 -26.58 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -78.63 -11.13 85.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.979 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.77 29.75 6.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.604 -0.807 . . . . 0.0 113.168 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.829 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 89.46 -40.78 3.03 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.324 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.686 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.7 ptpt -127.38 147.81 50.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 111.214 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.897 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.5 mp -157.34 155.47 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.07 165.31 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.826 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.7 -44.66 27.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.579 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.52 -46.65 75.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 0.8 OUTLIER -70.3 -45.97 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.087 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.3 tp -66.0 -43.55 87.38 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.15 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.8 ttp-105 -60.74 -44.05 97.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 4.2 pt20 -63.07 -38.42 91.12 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.864 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.5 OUTLIER -69.88 -31.52 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.071 178.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.511 HD13 HG12 ' A' ' 755' ' ' ILE . 6.8 mt -78.69 -42.22 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.431 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -38.91 92.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.294 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.97 -11.41 54.65 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.607 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -10.93 24.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.581 0.229 . . . . 0.0 111.249 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.25 29.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.004 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.462 ' CD2' HD23 ' A' ' 745' ' ' LEU . 95.7 m-70 -80.45 135.04 36.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.4 p -77.98 150.51 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -59.58 -38.42 81.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.57 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -42.82 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.2 mt -65.33 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -65.8 -36.69 84.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.06 65.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.142 0.496 . . . . 0.0 109.884 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.745 HD13 HD11 ' A' ' 725' ' ' ILE . 65.5 mt -61.33 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.826 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.0 OUTLIER -65.69 -42.74 90.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.057 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 756' ' ' GLU . 44.1 p -68.37 -44.24 75.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 109.945 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -57.48 -44.02 84.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.488 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 778' ' ' MET . 57.3 m-85 -86.13 -39.82 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 25.0 t0 -69.67 62.22 0.17 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.733 0.301 . . . . 0.0 111.322 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.17 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.43 -14.05 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.338 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.9 47.69 58.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.021 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.64 20.34 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 2.6 mp0 55.05 20.93 3.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.519 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -146.13 141.47 27.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.591 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.9 tp -106.46 127.22 53.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.643 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 7.0 m -110.95 160.34 16.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.155 0.502 . . . . 0.0 111.817 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -47.99 -31.55 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.07 -47.11 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE1' HD12 ' A' ' 770' ' ' LEU . 6.5 mt-10 -63.01 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.404 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 37.3 t-80 -66.43 -34.86 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.35 -36.17 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.679 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.27 -31.37 70.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.809 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 722' ' ' VAL . 3.9 ttp -56.83 -46.49 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 722' ' ' VAL . 2.5 mtt-85 -65.56 -44.61 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -46.91 75.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.419 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -47.51 85.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.362 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.694 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -60.32 -34.58 74.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.51 -179.582 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.5 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -23.16 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.53 -43.12 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.8 OUTLIER -65.44 -34.01 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.529 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.985 HG21 HD12 ' A' ' 782' ' ' LEU . 74.8 t -71.07 -48.38 55.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.016 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -30.29 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.333 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.506 ' OD2' HD22 ' A' ' 745' ' ' LEU . 17.1 t0 -65.1 -48.84 72.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.595 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.816 HD13 ' CE ' ' A' ' 778' ' ' MET . 6.8 mt -71.21 -44.52 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.347 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . 0.428 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 0.9 OUTLIER -56.81 -47.88 79.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.418 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -57.54 -49.22 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.646 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 42.1 m -67.11 -32.83 74.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.784 0.326 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.824 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.57 -39.39 77.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -32.26 73.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.082 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.08 74.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.05 7.18 67.02 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.972 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 87.52 48.6 4.19 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.621 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.618 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.82 19.28 9.98 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.327 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -153.61 125.35 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.9 0.35 . . . . 0.0 110.88 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 729' ' ' LEU . 4.1 mp -157.53 159.99 37.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.057 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -100.15 170.78 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.471 . . . . 0.0 111.378 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.843 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.85 -52.02 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.816 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.16 -46.53 90.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.639 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.0 mt-10 -69.82 -45.87 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.003 0.43 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.68 ' HG2' HD13 ' A' ' 755' ' ' ILE . 3.1 tmm_? -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.763 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -59.75 -41.48 91.07 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.7 OUTLIER -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.904 178.374 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 755' ' ' ILE . 13.1 mt -77.44 -41.87 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.678 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.37 -38.95 93.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.444 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -11.8 59.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.741 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -11.05 30.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.56 32.97 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -85.1 140.65 30.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.663 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 159.27 20.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.251 0.548 . . . . 0.0 111.395 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.669 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -61.61 -37.91 85.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.992 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.81 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.29 -41.17 98.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.68 HD13 ' HG2' ' A' ' 742' ' ' ARG . 8.9 mt -66.56 -50.12 69.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.329 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 760' ' ' THR . 2.8 mt-10 -61.05 -34.05 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.538 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.45 -50.52 51.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 0.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 725' ' ' ILE . 48.2 mt -59.95 -45.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.033 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.843 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.87 -41.42 91.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.154 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.8 p -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.137 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -57.22 -48.51 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.876 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.437 ' CE2' ' HG2' ' A' ' 778' ' ' MET . 54.1 m-85 -86.07 -38.11 18.16 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 7.0 t70 -70.22 62.22 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.979 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.3 -31.85 70.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.277 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -73.26 -11.11 60.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.423 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.51 31.9 52.45 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.76 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 45.1 p30 -89.51 8.75 29.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.652 0.263 . . . . 0.0 111.262 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 55.7 29.67 14.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.352 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -146.04 132.84 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 111.391 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.722 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.7 tp -105.62 124.91 50.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.959 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.68 HG22 ' HG2' ' A' ' 735' ' ' LYS . 23.6 p -121.59 173.81 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.259 0.552 . . . . 0.0 112.03 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.08 -33.12 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.94 -50.1 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.722 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.2 mt-10 -62.87 -39.86 95.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.484 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 26.2 t-80 -66.09 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -30.66 63.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.636 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -68.09 -31.25 70.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.539 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.816 ' CE ' HD13 ' A' ' 725' ' ' ILE . 1.5 mmt -56.81 -48.2 78.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.255 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.53 94.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -44.88 83.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.13 -35.75 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.366 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.985 HD12 HG21 ' A' ' 722' ' ' VAL . 0.6 OUTLIER -71.12 -35.4 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.394 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.726 -179.302 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -56.21 -31.01 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.2 -39.2 82.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.826 HG21 HD11 ' A' ' 758' ' ' ILE . 3.3 m -73.66 -49.39 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 725' ' ' ILE . 60.2 t -55.45 -40.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.924 0.392 . . . . 0.0 110.278 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.93 -42.5 99.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.465 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 758' ' ' ILE . 3.9 mt -70.91 -37.75 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.537 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 6.0 p -58.18 -44.66 88.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.191 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -49.21 72.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.5 m -62.55 -32.64 73.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.62 -37.96 77.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -31.94 67.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -40.05 95.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.29 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.672 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -78.93 -11.08 85.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.923 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.79 41.79 2.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.814 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.69 -51.46 4.56 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.195 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -102.48 141.65 34.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 111.471 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.672 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.3 OUTLIER -157.43 148.68 21.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.528 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.01 164.64 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.642 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.864 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.82 -46.62 31.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.924 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.547 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.1 mt-10 -69.42 -45.9 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.6 tp -64.51 -44.11 91.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.1 0.476 . . . . 0.0 110.304 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 755' ' ' ILE . 6.7 ttm180 -59.48 -44.44 93.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.02 -45.36 87.05 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.23 0.538 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -31.27 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.241 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 755' ' ' ILE . 6.6 mt -77.49 -40.8 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.528 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -39.1 93.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.67 -14.42 69.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.432 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 -13.64 29.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.684 0.278 . . . . 0.0 111.244 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 4.63 28.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 745' ' ' LEU . 70.7 m-70 -81.87 135.29 35.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.23 155.86 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -59.13 -37.38 77.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.954 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.42 90.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.22 -41.4 94.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.688 HG23 HD13 ' A' ' 745' ' ' LEU . 7.0 mt -67.78 -40.34 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.35 -34.7 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.7 -50.08 59.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 109.731 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 721' ' ' THR . 72.2 mt -61.28 -46.89 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.391 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.864 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.7 m-85 -66.04 -42.98 88.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.454 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.89 -44.46 73.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.246 0.545 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . 0.479 ' HG3' ' CD2' ' A' ' 762' ' ' TYR . 5.0 ptpt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.947 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.479 ' CD2' ' HG3' ' A' ' 761' ' ' LYS . 49.8 m-85 -86.35 -37.9 18.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 43.9 t0 -68.66 62.27 0.1 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.176 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.34 -44.74 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.251 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.0 -13.21 61.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.3 44.87 58.36 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.011 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -95.7 20.74 9.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 38.2 mm-40 50.92 25.95 2.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.484 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.99 136.04 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 111.523 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -108.22 127.08 53.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.461 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 41.3 p -115.4 162.6 16.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.22 0.533 . . . . 0.0 111.861 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -29.86 4.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.955 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.0 -47.74 70.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -62.85 -38.96 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 778' ' ' MET . 28.0 t-80 -67.83 -34.82 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -56.74 -31.28 64.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -68.54 -31.21 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.482 ' CE ' HD13 ' A' ' 725' ' ' ILE . 0.0 OUTLIER -56.71 -48.8 76.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.57 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -47.05 74.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.216 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.81 -43.0 94.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.209 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -36.32 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.292 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.904 179.864 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.738 0.304 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 782' ' ' LEU . 12.6 tttt -59.17 -25.73 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.91 -25.63 66.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.538 HG23 HD13 ' A' ' 758' ' ' ILE . 56.3 m -70.82 -49.71 43.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 782' ' ' LEU . 28.0 t -55.73 -35.0 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.039 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 727' ' ' GLU . 0.8 OUTLIER -61.48 -45.93 92.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.671 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' A' ' 721' ' ' THR . 0.6 OUTLIER -67.99 -41.31 82.51 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.693 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 745' ' ' LEU . 16.6 mm -70.86 -37.77 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.427 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 775' ' ' HIS . 36.0 t -59.65 -47.88 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.721 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 723' ' ' ASP . 1.3 mt-10 -62.14 -49.43 75.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 111.24 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 35.7 t -61.57 -35.71 78.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.381 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.838 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.82 -39.11 76.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 111.13 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -67.81 -31.93 72.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.65 -31.51 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.681 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.08 0.73 62.44 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.226 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.04 46.9 2.75 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.385 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.574 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 55.44 17.11 11.69 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.216 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . 0.631 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.5 7.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.813 0.307 . . . . 0.0 110.863 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.844 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.5 mp -155.33 157.59 37.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -96.85 168.73 10.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 0.0 111.347 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.855 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.81 -47.48 31.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.008 -179.482 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.27 -45.75 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.576 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.5 mt-10 -70.61 -45.94 64.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.037 0.446 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 39.8 ttp180 -61.79 -45.11 95.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.106 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -61.8 -39.37 91.5 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.6 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 748' ' ' LYS . 0.9 OUTLIER -68.47 -31.16 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.97 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 725' ' ' ILE . 7.0 mt -77.48 -42.36 36.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.541 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -63.78 -9.11 31.36 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.16 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 750' ' ' HIS . 9.8 mmmm -104.5 -9.46 18.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.898 0.349 . . . . 0.0 111.442 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.02 33.44 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.591 ' CD2' HD23 ' A' ' 745' ' ' LEU . 99.2 m-70 -75.29 131.44 40.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.681 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.8 p -74.6 145.48 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.067 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -57.73 -39.69 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.1 82.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.03 -39.58 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.0 mt -67.68 -40.58 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.84 -36.16 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.95 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 109.583 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.538 HD13 HG23 ' A' ' 721' ' ' THR . 42.5 mt -60.83 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.439 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.855 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.79 -42.99 90.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.59 -44.38 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.469 0.652 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -57.6 -44.88 85.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.599 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.03 -39.84 16.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 5.7 t70 -69.91 62.22 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.245 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -20.94 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -82.26 -13.96 56.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.392 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.21 30.9 61.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -91.29 12.91 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 52.46 27.62 5.15 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.453 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.07 138.29 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.975 0.417 . . . . 0.0 111.395 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.662 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -109.97 128.09 55.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.713 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 20.0 p -121.12 174.28 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.318 0.58 . . . . 0.0 111.892 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -29.5 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.312 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -51.23 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.662 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.9 mt-10 -62.94 -37.39 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.563 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 726' ' ' SER . 0.5 OUTLIER -68.58 -34.57 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -47.14 80.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 778' ' ' MET . 0.0 OUTLIER -64.19 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.578 ' HG2' HG22 ' A' ' 722' ' ' VAL . 38.8 ttm -56.93 -52.85 63.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -42.95 99.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.777 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -45.14 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.7 -35.98 77.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -66.05 -35.83 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.19 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.1 tptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 719' ' ' LYS . . . . . 0.489 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -58.99 -20.68 55.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -71.67 -29.99 65.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 721' ' ' THR . . . . . 0.672 HG22 HD11 ' A' ' 725' ' ' ILE . 2.1 m -73.62 -49.5 25.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 722' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 778' ' ' MET . 20.8 t -55.73 -35.08 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.285 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -37.35 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.412 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 724' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 48.2 m-20 -71.52 -47.59 54.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.672 HD11 HG22 ' A' ' 721' ' ' THR . 4.0 mt -70.9 -37.94 70.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.013 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 31.9 t -64.53 -47.86 77.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 727' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.7 pt-20 -59.08 -49.19 78.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.724 0.297 . . . . 0.0 111.025 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.1 m -68.08 -32.53 72.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.026 0.441 . . . . 0.0 110.33 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 729' ' ' LEU . . . . . 0.791 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -68.6 -41.11 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.586 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -31.89 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -31.32 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.285 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 732' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -80.84 -11.21 84.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.063 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.45 35.29 5.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.237 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 734' ' ' GLY . . . . . 0.791 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.02 -47.01 3.62 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.434 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -111.88 133.11 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 736' ' ' LEU . . . . . 0.796 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.8 OUTLIER -149.85 149.28 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.761 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -93.62 166.82 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 738' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.59 -44.39 26.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.864 -179.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.23 -46.63 73.22 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -70.48 -46.03 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.521 0.564 . . . . 0.0 112.521 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.4 tp -65.42 -45.51 83.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.229 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 742' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.4 OUTLIER -58.76 -44.04 90.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.231 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.12 -44.53 87.79 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.152 0.501 . . . . 0.0 109.917 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.02 -31.45 72.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.26 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.668 HD13 HG23 ' A' ' 755' ' ' ILE . 9.4 mt -77.29 -41.07 42.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.569 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -39.18 93.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.176 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.57 -13.7 61.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.526 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -93.76 -13.79 26.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 111.257 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.48 8.79 24.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.978 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 750' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 724' ' ' ASP . 91.3 m-70 -82.78 135.21 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.8 p -80.68 155.66 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -59.4 -36.99 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.6 92.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.19 -42.89 83.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 755' ' ' ILE . . . . . 0.668 HG23 HD13 ' A' ' 745' ' ' LEU . 6.7 mt -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 756' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -67.72 -36.0 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.84 -50.15 63.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.111 0.482 . . . . 0.0 109.896 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 758' ' ' ILE . . . . . 0.642 HD13 HD11 ' A' ' 725' ' ' ILE . 67.6 mt -60.35 -45.81 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' PHE . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.63 -41.55 92.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.947 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 756' ' ' GLU . 19.4 p -68.35 -44.15 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.519 0.676 . . . . 0.0 109.971 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -44.89 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.745 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' TYR . . . . . 0.443 ' CE2' ' HE2' ' A' ' 778' ' ' MET . 64.0 m-85 -86.11 -40.08 16.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.5 t70 -69.63 62.26 0.17 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.834 0.349 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -20.91 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.268 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -82.21 -14.15 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.358 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.94 30.35 60.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.808 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.22 16.57 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 28.1 mm-40 50.29 29.73 3.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -145.52 135.39 23.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.074 0.464 . . . . 0.0 111.595 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.752 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -106.58 126.47 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.576 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 772' ' ' GLU . 1.1 m -118.61 168.79 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.0 112.059 -178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 771' ' ' THR . 0.7 OUTLIER -49.46 -31.03 9.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.932 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.04 -49.47 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' GLU . . . . . 0.752 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.8 mt-10 -62.84 -40.9 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -65.93 -34.83 79.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.842 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -58.52 -40.88 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -62.73 -31.38 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 725' ' ' ILE . 29.4 ttm -56.93 -45.64 82.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -65.01 -44.47 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.85 -46.9 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.62 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.489 HD21 ' N ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -71.02 -36.22 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -119.38 -76.36 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.63 -53.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.749 HD12 ' OE1' ' A' ' 785' ' ' GLU . 0.3 OUTLIER -130.45 151.05 51.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.674 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 131.14 51.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -26.72 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -65.65 -39.97 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.843 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -62.23 -49.32 76.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.79 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.79 HG21 HD13 ' A' ' 782' ' ' LEU . 16.1 t -55.37 -37.68 45.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.306 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.97 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 110.532 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 32.6 m-20 -68.3 -45.19 73.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.72 HD11 HD13 ' A' ' 758' ' ' ILE . 4.7 mt -70.99 -37.76 69.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 7.4 t -62.06 -48.0 82.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.627 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.0 pt-20 -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 29.6 t -63.85 -33.4 75.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.226 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -37.47 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.67 -32.02 69.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -85.78 -11.03 74.85 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.957 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.31 41.36 2.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.554 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 63.13 11.49 39.2 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.288 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.5 OUTLIER -153.65 130.11 10.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.97 0.385 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.807 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.4 mp -156.88 154.74 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.788 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -96.1 167.81 10.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.227 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.845 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.75 -46.32 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.759 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -46.44 78.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.8 mt-10 -69.8 -45.94 66.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.28 -41.54 89.68 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.092 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 12.1 ttm-85 -61.39 -45.08 95.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.034 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.3 pt20 -62.09 -41.22 97.97 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.756 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.1 OUTLIER -67.25 -31.22 71.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.963 178.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.69 HD13 HG23 ' A' ' 755' ' ' ILE . 7.2 mt -77.69 -42.71 33.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.356 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -38.91 93.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.303 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.04 -11.91 59.35 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.556 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 -11.44 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 111.278 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.5 4.16 28.68 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.998 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.551 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.5 m-70 -78.08 132.18 37.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.826 0.346 . . . . 0.0 110.796 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.6 p -78.63 151.87 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.542 ' HA ' HD12 ' A' ' 755' ' ' ILE . 3.4 t70 -58.53 -39.68 80.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.02 83.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.82 99.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.69 HG23 HD13 ' A' ' 745' ' ' LEU . 7.1 mt -66.32 -41.18 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 760' ' ' THR . 1.0 OUTLIER -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.04 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.59 -50.13 64.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.141 0.496 . . . . 0.0 109.829 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.843 HD11 HG21 ' A' ' 721' ' ' THR . 65.3 mt -61.33 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.207 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.845 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.67 -42.71 90.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.065 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 756' ' ' GLU . 33.4 p -68.48 -44.19 75.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.56 0.695 . . . . 0.0 110.015 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -47.73 78.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.739 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.626 ' OH ' HD22 ' A' ' 717' ' ' LEU . 71.2 m-85 -85.94 -37.16 19.35 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.2 t70 -69.49 62.26 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.873 0.368 . . . . 0.0 111.073 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -63.07 -27.03 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.362 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 28.4 p30 -77.33 -11.27 59.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.399 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.54 29.94 58.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.786 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -91.02 10.6 26.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 0.0 111.254 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 53.45 29.81 9.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.387 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.95 135.14 24.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.389 . . . . 0.0 111.399 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -107.29 125.81 51.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.833 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.6 OUTLIER -119.65 171.07 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.271 0.557 . . . . 0.0 111.884 -179.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.459 ' H ' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -49.96 -32.61 15.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.027 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -50.08 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.722 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.732 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.2 mt-10 -62.81 -40.36 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -65.65 -34.79 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -56.81 -43.82 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.697 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -60.23 -31.26 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.58 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.774 ' SD ' HG13 ' A' ' 722' ' ' VAL . 38.2 ttm -56.84 -53.15 61.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -63.44 -40.56 97.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.93 76.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 784' ' ' LYS . 0.9 OUTLIER -64.75 -31.37 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.182 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.79 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.61 -35.96 70.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.617 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 787' ' ' GLU . 9.0 pt-20 -76.72 -33.55 58.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 781' ' ' ASP . 0.1 OUTLIER -66.75 -23.59 66.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.936 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . 0.749 ' OE1' HD12 ' A' ' 717' ' ' LEU . 13.3 mt-10 -97.24 -53.62 3.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.531 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . 0.643 ' HG2' HD23 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -91.96 6.54 45.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.407 -178.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 783' ' ' GLU . 0.1 OUTLIER -141.7 149.05 40.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 111.279 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.96 -2.09 2.88 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.875 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . 0.533 HD22 ' CG ' ' A' ' 792' ' ' ASP . 1.8 mt -165.97 168.81 15.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 111.093 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.28 -81.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.02 -16.33 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.225 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.533 ' CG ' HD22 ' A' ' 789' ' ' LEU . 2.1 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 179.68 -173.54 45.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.539 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 -48.01 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.578 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.6 OUTLIER -134.06 155.61 49.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.688 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.32 129.44 47.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.989 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.776 ' HB3' HD21 ' A' ' 782' ' ' LEU . 5.9 pttt -55.64 -25.98 42.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -61.05 -49.64 76.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 758' ' ' ILE . 0.1 OUTLIER -58.36 -46.69 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.754 HG22 ' HG2' ' A' ' 778' ' ' MET . 17.3 t -55.37 -42.75 68.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.003 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.4 OUTLIER -59.73 -46.3 89.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.505 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.3 OUTLIER -63.53 -41.17 98.49 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.43 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.713 HD11 HD13 ' A' ' 758' ' ' ILE . 20.2 mt -70.94 -37.72 69.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.678 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 10.3 p -57.65 -47.99 80.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.891 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 0.8 OUTLIER -68.29 -49.55 59.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.206 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 58.0 m -56.96 -36.7 70.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.83 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.712 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.023 0.439 . . . . 0.0 111.186 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.52 -31.95 72.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.447 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 727' ' ' GLU . 9.9 mm-40 -60.18 -37.61 80.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -95.94 7.09 67.25 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.154 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 89.58 48.85 3.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.39 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.651 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 52.58 22.94 12.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.024 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 736' ' ' LEU . 23.6 mttt -153.58 125.78 7.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.841 ' HB2' HD13 ' A' ' 741' ' ' LEU . 2.8 mp -157.52 157.74 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -96.54 169.37 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.81 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.84 -47.85 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.662 -179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -44.97 83.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.795 ' HB3' HD23 ' A' ' 736' ' ' LEU . 3.2 mt-10 -69.7 -45.88 67.25 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.9 tp -67.04 -39.21 86.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.066 0.46 . . . . 0.0 109.847 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 16.6 ttm-85 -62.15 -47.02 86.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.98 -41.83 97.17 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.63 -31.26 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.079 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.719 HD13 HG12 ' A' ' 755' ' ' ILE . 8.6 mt -79.09 -38.86 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.523 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -39.23 93.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.313 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.27 -14.32 68.67 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.538 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 750' ' ' HIS . 10.0 mptt -90.5 -13.22 35.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.408 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.71 5.83 33.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.961 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.475 ' CD2' ' CD2' ' A' ' 745' ' ' LEU . 64.1 m-70 -84.17 140.02 32.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.692 0.282 . . . . 0.0 110.674 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.06 163.25 17.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.477 . . . . 0.0 111.58 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 755' ' ' ILE . 7.8 m-20 -62.54 -34.98 78.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.39 . . . . 0.0 111.2 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.73 -42.2 82.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.169 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.719 HG12 HD13 ' A' ' 745' ' ' LEU . 7.4 mt -66.43 -42.8 90.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.13 -36.92 80.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 761' ' ' LYS . . . -65.81 -50.33 65.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.236 0.541 . . . . 0.0 110.034 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 721' ' ' THR . 79.3 mt -60.73 -44.93 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.283 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.81 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.85 -42.81 90.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.403 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 757' ' ' ALA . 14.3 t -68.51 -44.36 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.399 0.618 . . . . 0.0 110.325 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 757' ' ' ALA . 1.2 tmtm? -56.38 -47.86 78.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.591 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.578 ' OH ' HD22 ' A' ' 717' ' ' LEU . 69.9 m-85 -85.92 -35.56 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 51.0 t0 -68.89 62.22 0.11 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.62 -42.2 87.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.92 -13.25 61.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.339 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.21 37.47 72.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.883 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -88.65 10.16 21.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.26 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.2 OUTLIER 56.81 28.15 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.249 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -145.97 135.5 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.863 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.8 tp -105.38 124.73 50.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.576 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 170.35 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.313 0.578 . . . . 0.0 112.08 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -48.07 -33.67 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -65.46 -49.13 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.863 ' OE1' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.94 -41.91 99.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -63.57 -35.38 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.62 68.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -59.48 -36.36 75.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.539 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.754 ' HG2' HG22 ' A' ' 722' ' ' VAL . 2.9 ttm -56.9 -55.01 40.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.252 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -44.6 84.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.425 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -46.94 77.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.943 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.51 ' OD2' HD11 ' A' ' 717' ' ' LEU . 0.5 OUTLIER -65.06 -33.33 75.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.288 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -71.21 -33.72 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -76.59 -28.95 56.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 781' ' ' ASP . 5.8 ptpt -68.57 -31.4 70.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.935 0.397 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 781' ' ' ASP . 26.5 mm-40 -79.29 -54.04 6.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.235 0.54 . . . . 0.0 110.235 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.6 82.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.045 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.0 135.71 33.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.95 28.31 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.69 160.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.97 -31.96 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.83 -39.43 24.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.909 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -111.66 -125.29 4.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.55 -59.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.652 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.4 OUTLIER -133.77 155.85 49.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.658 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -99.2 124.89 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.477 ' HB3' HD21 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -56.94 -26.88 60.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.7 -40.78 97.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.875 HG21 HD11 ' A' ' 758' ' ' ILE . 0.0 OUTLIER -63.07 -49.25 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 782' ' ' LEU . 21.2 t -55.65 -40.54 60.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -61.89 -41.29 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.416 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 14.5 m-20 -69.54 -44.63 70.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.808 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.755 HD11 HD13 ' A' ' 758' ' ' ILE . 5.2 mt -70.88 -37.73 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 18.7 t -62.85 -45.21 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -49.18 78.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 18.2 m -67.28 -32.53 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.314 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.803 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.6 tm? -67.02 -40.38 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.707 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -68.53 -31.84 71.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.17 -32.44 70.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.376 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.741 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -79.6 -11.06 85.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.06 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.36 35.17 6.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.988 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.803 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 86.49 -47.13 3.69 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.413 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.797 ' CG ' HG22 ' A' ' 771' ' ' THR . 1.7 ttpt -102.38 135.26 44.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.294 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.774 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -155.42 143.65 20.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.863 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.98 166.95 11.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.805 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -46.16 30.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.927 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.35 -46.55 76.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.626 ' HB3' HD23 ' A' ' 736' ' ' LEU . 16.7 mt-10 -70.18 -46.03 65.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.774 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.8 tp -65.35 -43.34 91.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.033 0.444 . . . . 0.0 110.132 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 17.1 ttp180 -60.0 -44.74 94.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.469 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -58.26 -45.86 87.05 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.176 0.512 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -31.13 72.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.657 HD13 HG23 ' A' ' 755' ' ' ILE . 6.7 mt -78.42 -43.51 27.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.679 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -63.33 -39.08 93.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.324 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -70.11 -8.85 62.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.594 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -10.03 25.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.581 0.229 . . . . 0.0 111.266 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 2.18 29.1 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.549 ' CD2' HD23 ' A' ' 745' ' ' LEU . 81.1 m-70 -82.98 136.85 34.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.794 0.331 . . . . 0.0 110.818 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.62 156.21 25.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.068 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.537 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.6 p-10 -60.48 -37.24 80.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.18 87.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.08 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -65.2 -42.48 93.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.657 HG23 HD13 ' A' ' 745' ' ' LEU . 6.9 mt -66.88 -39.41 83.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.993 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.31 -36.14 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.067 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 -50.19 62.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.015 0.436 . . . . 0.0 109.943 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.875 HD11 HG21 ' A' ' 721' ' ' THR . 63.0 mt -60.3 -44.75 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.188 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.805 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.4 m-85 -65.62 -42.1 91.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.918 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 15.4 p -68.27 -44.12 76.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.403 0.62 . . . . 0.0 110.206 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -57.42 -46.22 83.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.687 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.652 ' OH ' HD22 ' A' ' 717' ' ' LEU . 74.5 m-85 -86.06 -38.66 17.59 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -69.31 62.18 0.14 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -63.15 -29.28 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.256 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -74.53 -10.42 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.538 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 53.71 33.2 48.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.949 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -98.09 12.77 33.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 64.4 mm-40 49.84 36.52 11.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.438 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -145.29 126.7 14.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.96 0.41 . . . . 0.0 111.361 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.68 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -106.44 124.3 49.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.814 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.797 HG22 ' CG ' ' A' ' 735' ' ' LYS . 71.5 p -124.38 177.87 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.354 0.597 . . . . 0.0 111.878 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -52.23 -31.84 34.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -67.1 -51.17 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.736 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.68 ' OE2' HD12 ' A' ' 770' ' ' LEU . 3.0 mt-10 -63.01 -39.26 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -68.34 -34.62 76.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -56.81 -42.38 79.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.653 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.47 -31.32 69.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.597 ' SD ' HG13 ' A' ' 722' ' ' VAL . 28.6 ttm -56.88 -49.97 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.794 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -41.94 98.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -65.84 -46.91 76.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.791 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -70.79 -31.39 68.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.69 56.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.07 -30.62 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -75.25 -36.46 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.539 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 87.69 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.36 75.85 1.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 178.49 -36.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 5.3 mp -84.91 90.09 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.85 22.32 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 24.7 mt -66.3 -35.5 80.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.778 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.885 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 150.94 -95.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.7 m 71.87 9.58 6.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.717 0.294 . . . . 0.0 111.428 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.885 HD12 ' HA ' ' A' ' 782' ' ' LEU . 48.3 mt 55.61 162.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.436 0.636 . . . . 0.0 111.891 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 722' ' ' VAL . 0.0 OUTLIER -136.97 112.71 9.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.39 178.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -31.71 61.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.91 -49.6 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.845 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -66.85 -41.47 87.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 110.768 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 782' ' ' LEU . 94.2 t -55.44 -47.74 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 0.1 OUTLIER -61.38 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.584 179.535 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -59.34 -43.39 92.78 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.912 HD11 HD13 ' A' ' 758' ' ' ILE . 4.9 mt -70.95 -37.64 68.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.52 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.4 t -55.4 -47.88 75.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 723' ' ' ASP . 1.0 OUTLIER -63.0 -49.39 74.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.068 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 21.0 t -61.95 -34.26 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.352 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.803 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.56 -38.91 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.955 0.407 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -72.65 -31.91 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.029 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -70.89 -36.77 72.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.708 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.99 -11.06 85.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.847 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 102.83 36.13 3.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.833 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.5 -52.49 4.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.958 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.48 136.88 41.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.341 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 729' ' ' LEU . 1.6 mp -155.41 154.0 31.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.667 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -108.94 175.5 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 111.633 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.789 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.61 -52.16 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.802 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . 0.401 ' HA ' ' NH1' ' A' ' 742' ' ' ARG . 9.2 m-20 -63.32 -47.09 83.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.446 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.8 OUTLIER -71.04 -46.23 62.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.719 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.1 tp -66.18 -42.84 88.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.997 0.427 . . . . 0.0 110.203 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 755' ' ' ILE . 12.8 ttm105 -60.56 -44.76 95.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.276 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -57.96 -45.5 86.58 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.072 0.463 . . . . 0.0 110.044 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -31.26 70.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.616 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 750' ' ' HIS . 5.8 mt -78.92 -38.79 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.803 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -63.39 -39.02 93.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.238 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -64.83 -14.12 57.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.473 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -14.06 21.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.525 0.203 . . . . 0.0 111.251 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.97 8.81 25.37 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.051 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 745' ' ' LEU . 92.3 m-70 -78.28 132.17 37.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 8.3 p -81.02 153.0 27.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.796 ' HA ' HD12 ' A' ' 755' ' ' ILE . 6.5 t70 -59.46 -38.28 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.986 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.05 -45.46 87.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -39.39 89.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.637 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.3 mt -68.09 -40.06 82.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -36.71 80.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.15 -50.19 64.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.226 0.536 . . . . 0.0 109.816 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.912 HD13 HD11 ' A' ' 725' ' ' ILE . 59.5 mt -61.19 -47.64 92.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.47 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.818 ' HD1' HD22 ' A' ' 770' ' ' LEU . 0.8 OUTLIER -65.99 -42.52 89.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.473 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.8 t -68.16 -44.22 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.467 0.651 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -56.67 -48.54 77.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 778' ' ' MET . 68.2 m-85 -86.03 -37.37 18.98 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 15.7 t70 -68.11 62.22 0.08 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 110.998 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.17 -25.06 67.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.306 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -76.06 -11.67 59.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 62.56 27.35 69.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.843 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -97.72 15.91 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.648 0.261 . . . . 0.0 111.271 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 46.31 34.68 2.33 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.461 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.61 139.28 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.818 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.9 tp -118.12 135.64 54.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.545 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 46.5 p -124.79 176.15 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 112.028 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.62 -41.49 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.68 -51.08 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.402 ' CD ' HD12 ' A' ' 770' ' ' LEU . 46.0 mt-10 -62.95 -42.71 99.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -65.83 -34.75 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.77 -31.81 65.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.433 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.599 ' SD ' HG22 ' A' ' 722' ' ' VAL . 30.2 ttm -56.8 -45.79 82.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -44.56 88.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -46.9 76.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 717' ' ' LEU . 1.1 t70 -57.79 -41.61 82.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.99 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.885 ' HA ' HD12 ' A' ' 717' ' ' LEU . 0.4 OUTLIER -59.39 -36.85 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -69.94 -27.21 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.23 -28.0 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.562 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.93 -44.41 14.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.549 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -126.39 93.97 3.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.35 39.33 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -167.13 68.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 2.4 tt -132.56 92.45 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . 0.485 ' O ' ' HG ' ' A' ' 791' ' ' LEU . 13.8 p-10 -84.67 1.08 47.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.517 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 791' ' ' LEU . 1.0 OUTLIER 32.82 69.63 0.12 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.901 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -177.7 120.6 0.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.432 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 8.3 m -61.52 147.95 43.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.647 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.3 OUTLIER -132.84 153.36 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.664 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.96 133.98 51.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.511 ' HA ' HD11 ' A' ' 782' ' ' LEU . 3.8 mtmp? -58.51 -22.12 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -72.15 -30.48 65.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.657 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.58 -49.71 24.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.915 0.388 . . . . 0.0 111.003 -179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.472 HG21 HD12 ' A' ' 782' ' ' LEU . 21.0 t -55.64 -35.02 37.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.335 -179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -39.55 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.408 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 23.6 m-20 -66.3 -44.03 84.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.786 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.583 HD11 HD13 ' A' ' 758' ' ' ILE . 6.0 mt -70.76 -46.16 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . 0.443 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.5 t -58.82 -37.08 75.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.32 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 74.9 m -68.14 -32.71 73.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.899 0.381 . . . . 0.0 110.593 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.661 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.5 -37.49 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -32.02 73.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.16 -27.67 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.743 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.0 -11.11 79.58 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.076 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 100.18 39.01 3.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.58 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.61 5.02 28.14 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.591 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.554 ' C ' HD12 ' A' ' 736' ' ' LEU . 15.1 pttt -153.71 132.05 12.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.281 0.54 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.892 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.0 mp -155.84 157.67 36.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.777 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -97.13 169.66 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.242 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.806 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -45.51 29.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.779 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -46.55 72.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.517 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.6 mm-40 -69.72 -46.24 66.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.892 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.43 -42.94 91.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.983 0.42 . . . . 0.0 110.116 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.0 OUTLIER -60.36 -43.58 96.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.698 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 744' ' ' ASP . 3.1 pt20 -62.82 -36.41 83.09 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.793 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . 0.531 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 3.3 m-20 -72.17 -31.34 65.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.024 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.662 HD13 HG23 ' A' ' 755' ' ' ILE . 6.9 mt -78.09 -44.02 27.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.423 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.89 92.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.312 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.38 -11.33 59.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.563 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.26 -10.65 23.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.566 0.222 . . . . 0.0 111.253 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 3.18 29.1 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.561 ' CD2' HD23 ' A' ' 745' ' ' LEU . 92.2 m-70 -78.86 133.37 37.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.4 p -79.38 152.97 30.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.57 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.1 p-10 -58.26 -38.86 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.83 80.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.662 HG23 HD13 ' A' ' 745' ' ' LEU . 7.7 mt -67.49 -41.54 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 760' ' ' THR . 40.8 tt0 -65.13 -36.58 84.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.954 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.53 -50.0 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 109.789 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 721' ' ' THR . 88.2 mt -60.81 -46.06 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.309 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.806 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.3 m-85 -65.61 -42.71 91.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.142 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 756' ' ' GLU . 30.6 p -68.46 -44.19 75.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.484 0.659 . . . . 0.0 110.065 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -57.79 -44.91 86.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.615 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.647 ' OH ' HD22 ' A' ' 717' ' ' LEU . 59.7 m-85 -86.08 -35.97 19.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 60.2 t0 -67.31 62.42 0.06 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.736 0.303 . . . . 0.0 111.264 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 762' ' ' TYR . 8.3 pt20 -60.66 -41.49 95.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -71.95 -10.13 59.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.321 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.37 35.1 60.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.74 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -90.36 10.94 23.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.631 0.253 . . . . 0.0 111.206 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.425 ' NE2' ' CE2' ' A' ' 738' ' ' PHE . 38.8 mm-40 52.95 29.21 7.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.321 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -144.79 134.93 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 0.0 111.349 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 770' ' ' LEU . 3.7 tp -109.59 126.46 53.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.675 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 55.7 p -127.3 -179.43 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.289 0.566 . . . . 0.0 111.852 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.92 -38.35 56.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.37 -51.38 67.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.65 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.42 -39.16 93.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 41.3 t-80 -68.07 -34.82 77.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -59.64 -34.59 73.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -64.91 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 2.8 mtt -56.81 -47.27 80.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -44.68 85.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -47.06 75.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.563 ' OD2' HD11 ' A' ' 717' ' ' LEU . 1.5 t70 -60.37 -41.1 93.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.096 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.7 OUTLIER -56.85 -41.03 77.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.229 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -68.48 -27.83 66.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -68.13 -31.94 71.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.586 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.13 -49.59 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.586 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -117.17 100.75 7.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -76.6 174.79 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -68.61 -40.57 80.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 4.4 mt 60.4 -84.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.5 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 11.8 mt 62.3 68.16 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.933 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 717' ' ' LEU . . . -109.88 39.6 2.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 717' ' ' LEU . 67.0 m 62.7 -71.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.672 0.272 . . . . 0.0 111.382 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 782' ' ' LEU . 77.3 mt -171.03 157.83 5.38 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.831 0.852 . . . . 0.0 108.777 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.57 113.82 10.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.337 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.481 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -52.48 -34.0 47.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.575 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -65.14 -45.14 86.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.112 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.687 HG21 HD11 ' A' ' 758' ' ' ILE . 15.4 m -63.59 -49.2 74.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.106 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.794 HG21 HD12 ' A' ' 782' ' ' LEU . 62.3 t -55.35 -45.57 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.942 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -30.35 70.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.335 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 30.5 m-20 -65.9 -44.72 84.39 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.457 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.02 -37.78 69.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.69 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . 0.477 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 0.4 OUTLIER -58.78 -48.05 82.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.0 pt-20 -59.57 -48.71 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 30.1 t -64.35 -33.34 75.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.784 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.63 -40.08 76.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 111.028 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.28 -32.77 74.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.986 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.661 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -95.92 7.03 67.28 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.024 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.24 48.54 4.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.429 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.594 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.34 19.07 7.81 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.216 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.593 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.97 7.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.82 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.3 mp -156.45 160.02 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -99.38 170.0 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.815 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.92 -51.96 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.947 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.14 -46.58 86.58 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.507 ' HB3' HD23 ' A' ' 736' ' ' LEU . 9.2 mt-10 -68.54 -46.04 70.59 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.1 tp -65.84 -39.15 90.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.012 0.434 . . . . 0.0 110.082 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 20.0 ttp180 -60.93 -46.84 89.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -58.05 -45.98 86.12 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.163 0.506 . . . . 0.0 109.841 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -31.06 72.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.325 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.669 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.38 -41.44 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.527 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -39.11 93.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.151 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.41 -14.1 59.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.486 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -11.68 23.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.568 0.223 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.37 8.01 25.64 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.903 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.549 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.8 m-70 -81.41 134.31 35.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 755' ' ' ILE . 6.5 p -84.94 159.89 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -38.17 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.67 71.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -46.44 90.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.669 HG23 HD13 ' A' ' 745' ' ' LEU . 10.0 mt -63.82 -37.92 80.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 760' ' ' THR . 40.7 tt0 -67.64 -35.68 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.305 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.264 0.554 . . . . 0.0 109.799 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 721' ' ' THR . 54.1 mt -59.62 -45.86 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.32 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.815 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 2.0 m-85 -65.94 -41.82 90.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.102 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.8 p -68.46 -44.16 75.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.492 0.663 . . . . 0.0 110.18 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.66 -46.86 86.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.823 -1.08 . . . . 0.0 111.788 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.504 ' CE1' ' HG2' ' A' ' 778' ' ' MET . 58.8 m-85 -86.04 -39.96 16.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 4.7 t70 -70.15 62.23 0.21 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.327 . . . . 0.0 110.957 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -66.65 -23.62 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.8 p30 -78.28 -7.83 57.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.359 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.41 21.88 28.75 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.867 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -82.92 0.67 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.573 0.225 . . . . 0.0 111.226 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.412 ' OE1' ' CE2' ' A' ' 738' ' ' PHE . 16.4 mm-40 58.91 30.38 20.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -141.93 128.07 19.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 111.319 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.696 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -100.51 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -117.41 167.39 11.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.314 0.578 . . . . 0.0 112.091 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -46.28 -29.84 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.61 -47.14 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.696 ' OE2' HD12 ' A' ' 770' ' ' LEU . 0.5 OUTLIER -62.96 -41.82 99.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.613 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 40.5 t-80 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -58.87 -32.25 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.36 -31.53 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.613 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 6.5 mtt -60.63 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -44.75 90.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.392 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -42.8 88.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.998 0.428 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.47 -45.43 93.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.253 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 722' ' ' VAL . 1.1 tt -62.11 -40.07 94.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.56 -27.53 55.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -31.02 71.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.926 0.393 . . . . 0.0 110.7 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -79.01 -40.78 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 95.14 4.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.62 50.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.982 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -134.75 -35.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 789' ' ' LEU . 0.2 OUTLIER -61.52 -44.96 96.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.423 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -44.9 -65.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.503 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 791' ' ' LEU . 0.5 OUTLIER -110.83 -54.85 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.056 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.969 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -143.12 27.04 2.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.543 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.4 m -58.82 129.39 41.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.535 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.6 OUTLIER -134.98 154.63 51.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -111.07 141.27 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.517 ' HG3' HD21 ' A' ' 782' ' ' LEU . 15.8 mtpt -57.9 -21.61 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.229 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.22 -49.46 67.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -49.1 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 782' ' ' LEU . 62.1 t -55.33 -45.95 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.21 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -42.18 98.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.94 0.4 . . . . 0.0 110.575 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.62 -39.36 94.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 758' ' ' ILE . 8.1 mt -70.91 -40.88 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 1.7 m -60.24 -42.57 95.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -49.22 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 -179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 34.8 m -66.39 -32.66 74.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.55 -37.74 77.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -32.06 73.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -77.5 -26.92 51.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.371 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.712 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -83.15 -11.23 81.35 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.154 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.86 37.27 4.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.172 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 85.57 -50.25 4.3 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.203 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.822 ' HD3' HG22 ' A' ' 771' ' ' THR . 23.6 mttm -102.27 125.35 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.825 ' CB ' HD13 ' A' ' 741' ' ' LEU . 4.6 mm? -132.07 135.96 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.053 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -88.93 164.76 15.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.439 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.8 -45.37 29.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.559 -179.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -46.43 78.59 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 29.3 mm-40 -69.07 -45.81 69.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.825 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.7 tp -66.16 -41.48 90.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.007 0.432 . . . . 0.0 110.085 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.6 ttm180 -62.13 -46.99 86.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 5.6 pt20 -60.24 -40.52 90.53 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.956 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.7 m-20 -68.47 -31.25 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.938 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.699 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -77.84 -40.54 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.553 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -39.19 93.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.273 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.25 -13.44 64.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.614 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -14.61 22.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 111.333 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.54 5.91 27.48 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.936 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 745' ' ' LEU . 79.7 m-70 -79.01 132.68 36.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 754' ' ' GLU . 12.4 p -79.71 154.59 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -60.24 -35.82 76.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.847 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.05 -48.07 81.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 755' ' ' ILE . 6.4 pt-20 -67.26 -37.42 83.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.989 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.699 HG23 HD13 ' A' ' 745' ' ' LEU . 9.2 mt -70.21 -41.01 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.617 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.91 -34.0 76.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 760' ' ' THR . . . -67.42 -50.09 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.079 0.466 . . . . 0.0 109.873 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 725' ' ' ILE . 54.5 mt -62.7 -44.97 99.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.3 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.85 -42.87 89.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.155 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 757' ' ' ALA . 7.7 t -68.68 -44.1 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.429 0.633 . . . . 0.0 110.264 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -56.29 -46.04 79.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.735 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.535 ' OH ' HD22 ' A' ' 717' ' ' LEU . 71.1 m-85 -86.07 -36.94 19.36 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 52.3 t0 -67.7 62.35 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 111.35 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.27 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.206 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -85.66 -14.1 46.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.373 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.65 42.83 78.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.195 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -94.35 17.34 13.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 6.6 mp0 56.27 20.64 4.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.541 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -146.14 144.57 30.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 111.403 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.2 tp -111.66 130.87 55.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.731 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.822 HG22 ' HD3' ' A' ' 735' ' ' LYS . 26.5 p -112.79 162.5 15.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.262 0.553 . . . . 0.0 111.92 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.01 -30.77 11.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.043 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -68.38 -48.42 64.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.86 -41.01 99.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -68.35 -34.54 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -56.63 -34.43 67.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.5 -31.38 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.602 ' SD ' HG13 ' A' ' 722' ' ' VAL . 46.3 ttm -56.9 -50.43 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -44.5 92.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -66.11 -43.78 86.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -39.09 82.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 722' ' ' VAL . 1.3 tt -59.46 -45.82 90.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.978 0.418 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -73.56 -43.59 59.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -25.73 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.839 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -68.35 -43.44 77.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -75.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.85 176.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.074 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.34 -77.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 789' ' ' LEU . 3.4 pp -93.08 131.08 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -134.69 72.88 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.0 -47.99 2.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 177.78 -78.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 33.8 m -60.24 131.96 52.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.767 HD12 ' OE1' ' A' ' 785' ' ' GLU . 0.3 OUTLIER -132.65 153.48 51.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.677 179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -104.87 129.25 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.754 ' HG3' HD22 ' A' ' 782' ' ' LEU . 0.8 OUTLIER -57.53 -24.29 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.076 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.21 -27.49 64.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.392 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.797 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -73.66 -49.57 25.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.034 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.11 -34.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -44.59 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.408 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 28.2 m-20 -66.16 -40.14 90.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.71 HD13 HD21 ' A' ' 745' ' ' LEU . 13.2 mm -70.98 -47.74 60.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -47.91 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.841 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 10.5 pt-20 -56.25 -49.14 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.9 m -67.49 -32.83 73.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.884 0.373 . . . . 0.0 110.608 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.709 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.55 -37.42 77.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -66.1 -31.87 73.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.88 -28.57 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -83.43 -11.14 80.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.943 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.26 35.2 5.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.556 -0.83 . . . . 0.0 113.016 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 83.8 -45.24 3.44 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.598 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.741 ' CG ' HG23 ' A' ' 771' ' ' THR . 12.4 mttt -102.38 134.76 45.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 111.416 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.775 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.5 OUTLIER -156.46 145.46 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.754 179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -94.31 167.11 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.315 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.824 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.6 -45.07 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.698 -179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.42 -46.48 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.596 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -68.99 -45.96 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.697 HD13 ' CB ' ' A' ' 736' ' ' LEU . 4.0 tp -65.45 -43.53 90.1 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.248 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 25.6 ttp180 -59.35 -44.15 92.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.311 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -46.04 87.58 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.176 0.512 . . . . 0.0 109.861 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 -31.29 72.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.243 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 725' ' ' ILE . 10.5 mt -78.1 -39.94 39.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.559 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -39.02 93.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.201 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.11 -12.93 63.74 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.529 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -95.14 -14.07 24.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.638 0.256 . . . . 0.0 111.27 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.51 6.24 29.19 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.985 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.472 ' CG ' HD22 ' A' ' 745' ' ' LEU . 86.4 m-70 -79.63 133.92 36.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 110.798 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.4 m -80.61 155.24 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.4 p-10 -58.74 -36.49 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.02 92.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.122 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.28 -41.42 85.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.657 HG12 HD13 ' A' ' 745' ' ' LEU . 9.6 mt -68.0 -41.17 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.56 -35.98 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.159 0.504 . . . . 0.0 110.001 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.797 HD11 HG21 ' A' ' 721' ' ' THR . 81.3 mt -60.83 -45.34 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.295 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.824 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.75 -42.48 90.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.94 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 756' ' ' GLU . 24.4 p -68.33 -44.32 75.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.444 0.64 . . . . 0.0 110.31 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.8 -47.16 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.584 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.688 ' OH ' HD22 ' A' ' 717' ' ' LEU . 73.6 m-85 -85.99 -36.67 19.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 49.0 t0 -68.21 62.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.793 0.33 . . . . 0.0 111.315 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.65 -33.53 71.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -80.11 -13.83 58.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 55.56 39.56 75.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.007 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -90.39 12.64 17.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.61 0.243 . . . . 0.0 111.153 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.0 OUTLIER 55.3 24.15 6.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.438 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -146.02 140.36 26.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 770' ' ' LEU . 3.1 tp -111.8 129.68 56.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.958 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.741 HG23 ' CG ' ' A' ' 735' ' ' LYS . 3.0 m -118.77 167.12 11.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.178 0.513 . . . . 0.0 111.686 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.41 ' H ' HG22 ' A' ' 771' ' ' THR . 2.5 tt0 -50.08 -30.54 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.51 -51.1 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.451 ' OE1' HD12 ' A' ' 770' ' ' LEU . 14.0 mt-10 -63.02 -37.39 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.639 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 729' ' ' LEU . 7.3 t-80 -66.89 -36.04 81.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -56.83 -33.63 66.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.45 -31.25 70.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 57.3 mtp -56.95 -54.9 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.023 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -43.69 98.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -47.09 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.59 -42.0 98.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.238 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.754 HD22 ' HG3' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -58.78 -39.02 79.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.304 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -71.0 -26.4 63.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -70.71 -18.54 62.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.441 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . 0.767 ' OE1' HD12 ' A' ' 717' ' ' LEU . 2.9 mt-10 -101.24 -37.01 8.71 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . 0.702 ' HG3' HD23 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -98.89 16.4 22.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.761 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.79 24.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.294 . . . . 0.0 111.256 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.5 47.14 1.37 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.771 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . 0.7 HD22 HD12 ' A' ' 791' ' ' LEU . 4.5 tt -145.06 143.08 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.7 HD12 HD22 ' A' ' 789' ' ' LEU . 1.0 OUTLIER 62.64 78.95 0.27 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.838 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.99 93.88 1.69 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.346 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.23 -31.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.683 0.278 . . . . 0.0 111.577 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -124.72 143.64 50.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 0.0 110.857 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.14 142.95 42.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.743 ' HA ' HD11 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -55.72 -28.89 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.333 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -27.04 66.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.285 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.543 ' CG2' HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -70.64 -49.67 45.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.549 HG21 HD12 ' A' ' 782' ' ' LEU . 61.6 t -55.94 -35.65 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.55 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.415 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 42.5 m-20 -66.12 -45.34 81.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.06 -37.92 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 51.4 m -60.09 -48.01 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.814 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -61.4 -49.3 77.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.17 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.2 m -67.27 -32.51 73.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.965 0.412 . . . . 0.0 110.392 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.819 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.4 tm? -69.38 -42.79 74.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.842 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -65.62 -31.98 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -26.45 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.609 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.692 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -81.87 -11.19 83.07 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.222 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 98.73 32.92 5.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.819 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 88.68 -44.44 3.15 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.533 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.69 137.51 54.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.001 0.4 . . . . 0.0 111.409 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.795 ' HB2' HD13 ' A' ' 741' ' ' LEU . 1.5 mt -146.31 153.69 40.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.765 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -93.96 166.37 12.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.822 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.69 -45.41 28.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.851 -179.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.61 -46.55 75.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.6 -45.96 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 736' ' ' LEU . 6.1 tp -64.75 -45.46 86.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.08 0.467 . . . . 0.0 110.247 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.5 OUTLIER -59.31 -44.37 92.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.368 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -57.93 -44.24 86.77 Favored 'General case' 0 N--CA 1.46 0.04 0 CA-C-O 121.157 0.503 . . . . 0.0 109.879 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.08 -31.19 71.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.267 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 755' ' ' ILE . 8.3 mt -76.96 -42.22 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.471 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -63.49 -39.02 93.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.223 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.99 -14.59 61.42 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.442 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -95.35 -12.59 25.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.609 0.243 . . . . 0.0 111.203 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.49 7.83 25.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.965 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.499 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.7 m-70 -81.83 134.3 35.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 71.7 p -82.76 158.01 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -59.47 -36.71 76.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.39 -50.55 72.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -43.11 97.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 745' ' ' LEU . 7.8 mt -66.25 -41.07 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.242 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.49 -34.19 77.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.07 -50.02 63.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 109.759 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.543 HD11 ' CG2' ' A' ' 721' ' ' THR . 80.9 mt -61.16 -47.12 94.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.342 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.822 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 0.8 OUTLIER -65.87 -43.03 89.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.381 -179.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.7 t -68.71 -44.31 74.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.468 0.652 . . . . 0.0 110.089 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -57.45 -43.89 84.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.457 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 717' ' ' LEU . 44.9 m-85 -86.19 -39.97 16.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 7.5 t70 -69.4 62.29 0.15 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.801 0.334 . . . . 0.0 111.361 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -24.25 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.078 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -79.01 -11.2 60.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.406 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.75 29.43 58.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.884 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -94.46 17.25 13.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.288 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 46.92 28.74 0.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.55 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -140.37 131.53 26.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 111.427 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.763 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -103.4 122.73 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.512 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 17.4 p -116.99 168.86 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.258 0.551 . . . . 0.0 111.967 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -48.38 -29.47 4.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.98 -49.84 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.667 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.4 mt-10 -62.87 -39.79 95.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.752 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.584 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 58.7 t-80 -68.11 -34.83 77.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.65 -35.05 76.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -64.8 -31.81 73.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.584 ' HG3' ' HA ' ' A' ' 775' ' ' HIS . 9.0 mtt -58.03 -47.71 82.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -44.59 95.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -46.84 76.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 784' ' ' LYS . 0.3 OUTLIER -60.12 -29.16 68.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.871 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 719' ' ' LYS . 0.2 OUTLIER -70.89 -34.53 71.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.12 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -76.63 -43.82 36.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.594 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 781' ' ' ASP . 0.0 OUTLIER -59.74 -31.77 69.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.89 0.376 . . . . 0.0 110.462 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -70.0 -36.77 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.156 0.503 . . . . 0.0 110.042 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -136.49 106.05 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.447 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -117.16 128.54 55.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.136 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.55 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.812 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.95 71.88 1.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.785 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.71 -69.23 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 46.1 mt -150.14 87.57 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 67.36 -95.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.565 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.02 162.16 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.767 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.4 OUTLIER -132.71 151.56 51.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -123.06 153.09 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.436 ' N ' HD21 ' A' ' 782' ' ' LEU . 1.5 tttt -60.44 -19.52 56.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -67.64 -42.5 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.138 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -49.4 65.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.642 HG21 HD13 ' A' ' 782' ' ' LEU . 50.1 t -55.81 -40.87 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -44.03 94.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.571 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 24.4 m-20 -64.78 -40.77 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.762 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.704 HD11 HD13 ' A' ' 758' ' ' ILE . 13.9 mt -71.09 -45.82 69.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . 0.403 ' OG ' ' CE1' ' A' ' 775' ' ' HIS . 15.1 m -55.33 -48.03 74.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.747 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.5 pt-20 -59.79 -49.05 79.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.519 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 75.2 m -66.52 -32.82 74.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.539 HD12 HD11 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.61 -37.36 76.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 110.882 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -66.49 -31.96 73.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -34.06 60.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.737 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.9 -11.17 85.66 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.127 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.17 35.37 4.79 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.994 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 81.75 -53.54 4.72 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.399 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.619 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -102.41 130.3 49.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 111.354 -179.36 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.737 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.4 mt -147.32 151.05 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -94.77 167.6 11.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.303 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.813 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.68 -45.85 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.909 -179.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.32 -46.55 76.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.09 -45.94 65.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.5 tp -65.03 -44.25 89.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.027 0.442 . . . . 0.0 110.255 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 10.6 ttp180 -59.72 -44.79 93.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.438 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -57.97 -45.33 86.89 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.232 0.539 . . . . 0.0 109.862 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -31.29 72.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.174 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.687 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -76.89 -40.97 45.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.488 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -39.06 93.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.224 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.34 -13.02 59.69 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.769 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -12.69 22.62 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 122.81 -0.23 . . . . 0.0 111.381 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.73 7.38 27.67 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.97 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.55 ' CD2' HD23 ' A' ' 745' ' ' LEU . 90.5 m-70 -80.33 133.74 35.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.755 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 1.9 p -80.94 155.33 26.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.11 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -59.06 -36.29 74.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.26 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -67.04 -41.99 85.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.687 HG23 HD13 ' A' ' 745' ' ' LEU . 9.0 mt -67.59 -40.86 84.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.079 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tt0 -67.91 -35.38 78.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.94 -50.21 63.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.129 0.49 . . . . 0.0 109.935 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 725' ' ' ILE . 68.4 mt -60.91 -45.48 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.179 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.813 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.6 m-85 -65.69 -42.53 91.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.021 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 756' ' ' GLU . 38.7 p -68.23 -44.17 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.449 0.642 . . . . 0.0 110.187 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -57.65 -46.95 83.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.8 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.767 ' OH ' HD22 ' A' ' 717' ' ' LEU . 68.5 m-85 -85.98 -38.73 17.63 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 8.6 t70 -68.62 62.21 0.1 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.688 0.28 . . . . 0.0 111.348 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.55 -19.94 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.146 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.1 -12.94 57.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.457 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.55 24.1 55.88 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.765 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 48.3 p30 -83.69 1.77 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 0.0 111.406 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 61.16 26.96 16.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.228 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -146.11 140.92 27.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 111.141 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.551 HD12 ' OE1' ' A' ' 774' ' ' GLU . 2.8 tp -110.63 129.12 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.73 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.47 167.81 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 111.95 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 771' ' ' THR . 7.3 tt0 -49.45 -32.15 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -66.49 -49.6 66.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.551 ' OE1' HD12 ' A' ' 770' ' ' LEU . 1.9 mt-10 -62.98 -41.26 99.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 66.0 t-80 -64.14 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.727 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.0 66.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.45 -31.44 71.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 762' ' ' TYR . 21.2 mtt -56.77 -44.22 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -44.49 86.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.312 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.1 -46.94 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -42.68 96.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.642 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -62.31 -34.93 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.52 -27.13 55.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.46 -30.9 66.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.07 -44.59 21.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.583 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -121.27 100.14 6.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -93.63 106.13 18.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 178.07 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.43 135.19 38.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -94.15 60.91 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.732 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 12.6 mt 57.74 66.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.83 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.112 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.08 -96.29 2.08 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 18.8 m 62.75 -171.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.916 0.389 . . . . 0.0 110.758 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.599 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.2 OUTLIER -131.23 152.39 50.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -105.61 130.18 53.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.458 ' HG2' HD22 ' A' ' 782' ' ' LEU . 0.9 OUTLIER -57.79 -22.52 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -68.6 -41.1 80.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.149 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.683 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -67.12 -49.5 64.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.403 . . . . 0.0 110.866 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.597 HG21 HD12 ' A' ' 782' ' ' LEU . 22.0 t -55.4 -38.74 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.119 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -35.38 80.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.888 0.375 . . . . 0.0 110.501 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 28.1 m-20 -68.65 -44.05 74.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 721' ' ' THR . 3.4 mt -70.97 -37.86 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.749 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . 0.452 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 1.2 t -62.0 -47.85 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.634 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -59.22 -46.58 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.192 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 32.4 m -66.25 -32.7 74.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.591 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.66 -37.4 76.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.28 -31.91 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.96 -30.14 66.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.67 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -94.87 6.99 70.12 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.07 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.5 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.591 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 56.98 16.34 17.71 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.312 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.65 125.46 7.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.998 0.399 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.833 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -153.11 158.01 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.666 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.39 168.19 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 111.601 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.857 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.78 -46.17 30.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.044 -179.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.55 -46.6 72.26 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.621 ' HB3' HD23 ' A' ' 736' ' ' LEU . 0.7 OUTLIER -69.92 -45.96 66.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.8 tp -64.76 -45.23 87.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.059 0.457 . . . . 0.0 110.311 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -58.92 -43.43 91.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.184 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.86 -45.29 86.54 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.224 0.535 . . . . 0.0 109.811 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.04 -31.32 72.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.143 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 755' ' ' ILE . 7.7 mt -75.52 -44.78 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.447 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -63.41 -38.9 92.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -12.83 61.65 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.58 -11.54 22.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.601 0.239 . . . . 0.0 111.238 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.63 3.24 28.83 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.92 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 745' ' ' LEU . 88.2 m-70 -77.09 130.93 38.05 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.825 0.312 . . . . 0.0 110.811 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.21 151.63 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.629 ' HA ' HD12 ' A' ' 755' ' ' ILE . 23.8 t70 -57.43 -39.7 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.262 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.28 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.363 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -39.68 94.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 745' ' ' LEU . 8.6 mt -67.63 -43.35 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -37.25 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.07 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.245 0.545 . . . . 0.0 109.87 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 721' ' ' THR . 56.2 mt -61.92 -46.43 96.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.367 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.857 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.83 -43.06 89.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.303 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 7.0 t -68.68 -44.27 74.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.526 0.679 . . . . 0.0 110.179 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -55.74 -48.55 75.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.792 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.599 ' OH ' HD22 ' A' ' 717' ' ' LEU . 69.7 m-85 -85.97 -35.39 20.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 10.6 t70 -68.87 62.24 0.11 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -65.63 -21.0 66.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.253 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -80.51 -12.75 59.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.33 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.76 25.66 56.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.693 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -90.97 10.88 24.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.695 0.283 . . . . 0.0 111.24 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 51.09 34.0 10.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.335 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -145.72 133.92 21.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.681 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.6 tp -106.6 125.12 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.528 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 34.9 p -119.55 171.02 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.235 0.54 . . . . 0.0 111.924 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.34 -34.51 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -48.33 73.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.681 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.8 mt-10 -62.86 -41.26 99.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 726' ' ' SER . 39.2 t-80 -63.22 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.782 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -68.56 -31.47 70.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.601 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.59 ' HE3' ' CD2' ' A' ' 762' ' ' TYR . 13.0 mtp -63.01 -55.16 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -65.65 -41.56 92.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.376 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -46.98 79.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.635 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.04 -32.72 74.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 722' ' ' VAL . 1.7 tt -61.41 -47.12 87.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -26.09 64.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -35.39 79.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.7 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -66.49 -42.5 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.685 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -119.97 109.12 15.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.736 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.79 138.55 33.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.975 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.5 46.09 0.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 1.2 mp -96.85 94.45 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.57 67.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 17.9 mt -110.08 -27.9 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.1 -43.0 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . 0.658 ' O ' ' HB2' ' A' ' 717' ' ' LEU . 0.5 OUTLIER 70.6 -63.57 0.4 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.555 0.217 . . . . 0.0 110.842 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.658 ' HB2' ' O ' ' A' ' 716' ' ' SER . 5.0 mp 90.04 175.47 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . 0.438 ' C ' HD21 ' A' ' 782' ' ' LEU . 4.0 mtpm? -118.3 147.13 43.77 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.78 -19.42 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -40.43 85.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 111.272 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.6 OUTLIER -73.61 -49.33 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.174 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.602 ' CG2' HD23 ' A' ' 782' ' ' LEU . 31.3 t -55.73 -41.25 64.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -44.58 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 38.6 m-20 -68.74 -44.37 73.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.869 HD11 HD13 ' A' ' 758' ' ' ILE . 4.8 mt -71.07 -37.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 33.8 t -63.36 -47.95 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.633 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -59.24 -49.21 78.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 9.3 m -67.5 -32.54 73.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.265 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.804 HD21 ' O ' ' A' ' 734' ' ' GLY . 3.0 tm? -69.28 -40.99 77.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -32.22 72.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.104 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.54 -24.93 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.507 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.906 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -77.88 -11.27 85.57 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.215 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 105.33 23.76 7.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.333 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.804 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.62 -44.29 3.25 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.459 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -116.14 128.92 56.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.924 0.393 . . . . 0.0 111.439 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.906 HD11 ' HA3' ' A' ' 732' ' ' GLY . 1.1 mt -145.94 155.08 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.71 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 769' ' ' GLU . 24.2 p30 -110.05 178.3 4.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.888 ' HA ' ' CE2' ' A' ' 759' ' ' PHE . 2.5 m-85 -47.6 -52.24 18.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.01 -46.89 85.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.513 ' HB3' HD23 ' A' ' 736' ' ' LEU . 21.0 mt-10 -70.72 -46.12 63.67 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.08 -41.07 91.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.899 ' HG3' HD13 ' A' ' 755' ' ' ILE . 8.1 ttt180 -60.24 -46.11 90.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.254 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.96 -45.98 85.83 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.058 0.456 . . . . 0.0 110.147 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -31.25 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.54 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 750' ' ' HIS . 6.8 mt -77.54 -40.53 42.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.697 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.451 ' HD2' ' HG2' ' A' ' 742' ' ' ARG . 0.0 OUTLIER -63.24 -39.01 93.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.215 -179.104 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -62.53 -16.2 54.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.263 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -97.94 -13.46 21.15 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.607 0.241 . . . . 0.0 111.352 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 106.24 9.97 30.64 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.147 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.562 ' CD2' HD23 ' A' ' 745' ' ' LEU . 94.4 m-70 -75.74 132.28 40.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.818 0.342 . . . . 0.0 110.962 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.0 p -80.39 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.111 0.482 . . . . 0.0 111.227 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.88 ' HA ' HD12 ' A' ' 755' ' ' ILE . 10.9 p-10 -57.31 -37.71 72.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -56.85 -46.65 81.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.017 0.437 . . . . 0.0 110.985 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -39.19 90.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.652 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.899 HD13 ' HG3' ' A' ' 742' ' ' ARG . 8.3 mt -66.83 -41.64 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 760' ' ' THR . 22.8 tt0 -67.25 -37.61 83.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.99 -50.08 67.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.171 0.51 . . . . 0.0 109.877 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.869 HD13 HD11 ' A' ' 725' ' ' ILE . 72.6 mt -60.84 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.716 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 738' ' ' PHE . 0.9 OUTLIER -65.95 -42.51 89.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.202 -179.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 756' ' ' GLU . 43.7 p -68.03 -44.14 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.715 . . . . 0.0 109.461 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.63 -48.64 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.502 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.529 ' OH ' HD13 ' A' ' 717' ' ' LEU . 65.0 m-85 -85.93 -40.15 16.19 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 13.1 t0 -70.6 62.26 0.25 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.24 -38.59 77.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 765' ' ' ASP . 11.1 p-10 -70.96 -8.71 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.42 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.09 38.84 90.94 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.884 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -95.97 12.48 30.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.508 0.194 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 49.17 27.29 1.75 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 737' ' ' ASN . 5.2 tt0 -142.15 135.89 29.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.968 0.413 . . . . 0.0 111.069 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.773 HD22 ' HD1' ' A' ' 759' ' ' PHE . 2.4 tp -117.22 133.47 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.665 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 58.2 p -125.77 -179.52 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 0.0 112.029 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -36.82 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.203 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.45 -51.34 60.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.656 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.81 -39.89 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.458 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 56.7 t-80 -68.4 -35.03 77.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -56.8 -34.28 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.598 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -68.51 -31.43 70.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.519 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.561 ' HG2' HG22 ' A' ' 722' ' ' VAL . 4.7 ttp -57.36 -50.4 73.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -38.34 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.69 88.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -29.2 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 722' ' ' VAL . 0.0 OUTLIER -70.5 -40.12 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -67.87 -25.25 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.786 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -66.79 -30.52 70.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 110.15 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 716' ' ' SER . 7.4 tp10 -72.35 -53.13 13.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.49 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 92.86 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 33.91 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -144.64 -38.29 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.55 97.03 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.499 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.44 -45.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -67.82 0.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -94.79 78.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 50.2 m 61.43 -175.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.711 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.3 OUTLIER -130.75 151.63 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -110.36 143.66 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -24.08 7.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.477 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -64.81 -49.6 70.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.877 0.37 . . . . 0.0 110.499 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 758' ' ' ILE . 0.0 OUTLIER -58.44 -33.7 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.271 0.558 . . . . 0.0 110.252 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.885 ' CG2' HD13 ' A' ' 782' ' ' LEU . 56.2 t -69.18 -49.84 58.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.285 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -31.24 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 43.2 m-20 -65.36 -48.68 72.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.962 HD13 ' HE2' ' A' ' 778' ' ' MET . 9.9 mt -71.22 -38.53 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' A' ' 775' ' ' HIS . 15.8 p -58.63 -47.96 82.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.122 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 15.2 pt-20 -59.4 -49.12 79.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.53 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 44.5 t -65.49 -33.2 75.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.716 0.293 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.72 -39.58 76.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.76 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.71 -31.98 73.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.81 -33.16 73.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.176 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . . . . . . . . . . . -85.77 -11.04 74.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 94.11 48.42 2.65 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 66.83 11.87 58.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.995 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.887 ' HG2' HG23 ' A' ' 771' ' ' THR . 0.0 OUTLIER -153.57 131.8 11.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.784 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -157.64 150.68 23.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.685 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.18 167.6 10.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.45 . . . . 0.0 111.465 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.817 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.96 -52.03 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.05 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.5 -46.63 87.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.679 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.0 OUTLIER -70.59 -45.69 64.88 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.784 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.3 tp -65.48 -41.39 93.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.994 0.425 . . . . 0.0 110.111 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 1.5 ttt180 -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.127 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 13.5 pt20 -61.98 -40.56 96.03 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -31.19 70.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.986 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.654 HD13 HG23 ' A' ' 755' ' ' ILE . 8.4 mt -77.13 -43.82 32.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.88 92.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.175 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.62 -12.86 57.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.416 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.71 -9.32 26.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.681 0.277 . . . . 0.0 111.208 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.65 5.54 27.59 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.877 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.474 ' CD2' HD23 ' A' ' 745' ' ' LEU . 96.2 m-70 -80.05 132.31 35.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 755' ' ' ILE . 2.1 m -80.84 155.83 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.436 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.0 p-10 -59.58 -39.91 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.18 -43.31 95.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.654 HG23 HD13 ' A' ' 745' ' ' LEU . 6.6 mt -67.3 -37.98 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 760' ' ' THR . 0.3 OUTLIER -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.067 -179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.17 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.273 0.558 . . . . 0.0 109.671 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 721' ' ' THR . 88.1 mt -58.87 -47.01 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.423 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.817 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.9 m-85 -65.94 -41.03 91.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.143 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 756' ' ' GLU . 36.6 p -68.45 -44.31 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.483 0.659 . . . . 0.0 110.315 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -58.14 -47.86 82.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.961 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.711 ' OH ' HD22 ' A' ' 717' ' ' LEU . 62.4 m-85 -86.01 -36.79 19.53 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 28.4 t0 -69.67 62.24 0.17 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.66 -40.8 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.87 -11.73 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.21 35.83 55.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.019 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -88.31 9.51 22.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.298 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 0.7 OUTLIER 56.78 27.49 12.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.319 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -145.9 132.72 20.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 111.349 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.62 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.3 tp -105.0 124.02 48.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.887 HG23 ' HG2' ' A' ' 735' ' ' LYS . 1.4 m -118.56 168.59 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.261 0.553 . . . . 0.0 112.008 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 771' ' ' THR . 9.5 pt-20 -47.79 -31.73 5.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.95 -50.34 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.62 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -63.04 -40.51 97.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.661 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 778' ' ' MET . 29.3 t-80 -64.55 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -56.46 -30.54 63.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -67.08 -31.29 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.196 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.962 ' HE2' HD13 ' A' ' 725' ' ' ILE . 0.1 OUTLIER -56.93 -54.35 47.65 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.03 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -44.53 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -46.89 76.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.045 0.45 . . . . 0.0 110.933 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.498 ' HA ' ' HG2' ' A' ' 784' ' ' LYS . 2.4 m-20 -63.94 -35.07 79.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.164 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.885 HD13 ' CG2' ' A' ' 722' ' ' VAL . 0.5 OUTLIER -71.29 -40.98 70.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.419 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.27 56.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 781' ' ' ASP . 0.0 OUTLIER -75.68 -31.08 59.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.515 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.75 -34.24 77.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -80.24 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.115 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 75.0 96.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.1 42.02 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.9 100.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.05 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -65.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.023 0.439 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -176.89 35.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.418 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 717' ' ' LEU . 67.0 m -70.2 -80.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.376 0.132 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.793 HD22 ' OH ' ' A' ' 762' ' ' TYR . 5.8 mp 85.41 172.41 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.595 0.559 . . . . 0.0 110.889 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . 0.699 ' C ' HD11 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -102.92 134.49 46.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 0.0 111.225 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.606 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -58.73 -27.2 64.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.163 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -69.21 -28.66 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.777 HG22 HD11 ' A' ' 725' ' ' ILE . 3.1 m -70.09 -49.52 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.708 HG22 ' HG2' ' A' ' 778' ' ' MET . 13.4 t -55.55 -35.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -36.88 84.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.475 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 750' ' ' HIS . 39.0 m-20 -72.53 -44.79 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.777 HD11 HG22 ' A' ' 721' ' ' THR . 4.6 mt -71.0 -42.49 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 8.4 t -63.66 -47.94 79.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.781 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 21.5 pt-20 -56.47 -41.78 77.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.447 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 58.7 m -73.43 -32.74 64.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.933 0.397 . . . . 0.0 110.445 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.657 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.58 -37.37 76.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.84 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -31.95 73.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.56 -30.38 57.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.248 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.775 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -84.37 -11.14 78.64 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.042 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.88 41.21 2.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.731 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 64.6 5.71 18.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.841 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.486 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.4 ptmm? -153.64 133.59 13.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.495 0.647 . . . . 0.0 111.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.87 ' HB2' HD13 ' A' ' 741' ' ' LEU . 3.8 mp -156.69 156.24 33.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -93.85 168.62 10.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.821 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.83 -45.06 29.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.44 -46.5 76.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.751 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.2 mm-40 -69.95 -45.94 66.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.87 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.0 tp -66.32 -42.66 87.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.003 0.43 . . . . 0.0 110.243 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 6.9 ttm180 -61.25 -43.91 98.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -62.88 -39.75 95.4 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.66 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 1.2 m-20 -67.95 -31.3 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.902 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.616 HD13 HG23 ' A' ' 755' ' ' ILE . 7.0 mt -78.62 -40.84 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.328 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -39.04 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.251 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.74 62.4 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.37 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 -13.39 24.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.71 0.29 . . . . 0.0 111.208 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.51 4.29 28.61 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.529 ' CD2' HD23 ' A' ' 745' ' ' LEU . 88.0 m-70 -79.39 133.84 36.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.796 0.331 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 14.8 p -80.47 154.02 27.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -58.0 -35.98 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.7 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -41.79 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.492 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.616 HG23 HD13 ' A' ' 745' ' ' LEU . 11.0 mt -67.28 -39.78 83.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -67.71 -33.93 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.46 64.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.227 0.537 . . . . 0.0 109.77 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.431 HD13 HD11 ' A' ' 725' ' ' ILE . 60.8 mt -61.57 -48.11 90.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.374 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.821 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.66 -42.95 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.265 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.2 t -68.52 -44.15 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.467 0.651 . . . . 0.0 110.021 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -58.53 -43.67 89.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.611 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.793 ' OH ' HD22 ' A' ' 717' ' ' LEU . 53.7 m-85 -86.12 -39.82 16.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 39.0 t0 -68.09 62.3 0.08 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.765 0.317 . . . . 0.0 111.372 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -57.59 -33.76 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.68 -12.59 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.311 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.59 42.86 78.01 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.032 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -90.76 14.14 14.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.7 0.286 . . . . 0.0 111.278 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 56.16 21.61 5.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.584 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -146.07 142.16 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.039 0.447 . . . . 0.0 111.552 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.673 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -112.38 129.93 56.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.744 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 772' ' ' GLU . 0.4 OUTLIER -119.85 171.33 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.229 0.537 . . . . 0.0 111.896 -179.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 771' ' ' THR . 1.7 mt-10 -52.12 -33.23 38.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -65.12 -50.99 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.673 ' OE1' HD12 ' A' ' 770' ' ' LEU . 4.0 mt-10 -63.57 -39.69 95.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.743 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -68.67 -34.82 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 39.9 tp60 -56.93 -38.57 73.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -68.82 -31.43 70.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.191 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.708 ' HG2' HG22 ' A' ' 722' ' ' VAL . 5.0 ttp -56.91 -55.46 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.894 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 1.0 OUTLIER -62.32 -37.62 86.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.401 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -45.11 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -33.03 74.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.3 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.699 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -70.91 -35.86 72.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.564 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 787' ' ' GLU . 11.4 pt-20 -76.83 -31.04 56.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -19.6 43.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.17 -33.57 10.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.082 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.92 13.91 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 783' ' ' GLU . 0.8 OUTLIER -150.35 24.04 0.81 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.787 0.327 . . . . 0.0 111.335 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -114.19 58.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.41 . . . . 0.0 110.969 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.93 -69.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.07 -59.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 87.6 mt -152.8 67.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.97 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -163.46 -82.2 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 139.32 45.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.764 HD21 ' NZ ' ' A' ' 761' ' ' LYS . 0.5 OUTLIER -134.44 154.5 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.622 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.61 139.65 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.114 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -23.64 33.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.232 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -67.39 -30.33 70.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.786 HG22 HD11 ' A' ' 725' ' ' ILE . 38.0 m -66.76 -49.39 66.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 0.0 110.666 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.5 t -55.61 -34.81 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.989 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.45 -45.74 90.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.434 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 721' ' ' THR . 0.6 OUTLIER -71.12 -46.67 61.22 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.059 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 721' ' ' THR . 6.9 mt -65.23 -47.84 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.785 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 23.1 t -57.22 -46.34 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -49.1 79.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.989 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 45.4 t -65.98 -32.68 74.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.485 HD23 ' HA2' ' A' ' 734' ' ' GLY . 0.2 OUTLIER -69.7 -39.04 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.877 179.766 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -31.99 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -66.29 -31.15 71.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.479 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -91.87 -11.01 60.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.873 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.0 48.28 1.77 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.533 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.485 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 65.09 10.82 49.07 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.192 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 131.78 11.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.994 0.397 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.702 ' CB ' HD13 ' A' ' 741' ' ' LEU . 0.3 OUTLIER -157.58 153.34 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -93.77 165.31 12.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.137 0.494 . . . . 0.0 111.602 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.86 -47.42 31.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.055 -179.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -46.62 77.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.571 ' HB3' HD23 ' A' ' 736' ' ' LEU . 18.8 mt-10 -70.4 -45.87 65.1 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.702 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.4 tp -63.97 -45.38 89.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.351 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 755' ' ' ILE . 20.7 ttp180 -59.77 -44.03 94.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.367 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.9 -42.87 85.61 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.232 0.539 . . . . 0.0 109.762 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.26 70.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.255 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 755' ' ' ILE . 5.9 mt -76.49 -43.64 38.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.522 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -38.93 93.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.3 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.7 -11.29 57.05 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.694 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.46 -11.24 21.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.572 0.225 . . . . 0.0 111.28 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.29 4.12 29.07 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.922 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.601 ' CD2' HD23 ' A' ' 745' ' ' LEU . 91.3 m-70 -79.09 133.39 36.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.8 p -77.85 150.48 34.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.616 ' HA ' HD12 ' A' ' 755' ' ' ILE . 9.5 t70 -58.86 -38.54 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.73 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.71 -40.51 95.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 745' ' ' LEU . 8.7 mt -67.93 -40.39 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 760' ' ' THR . 1.2 tp10 -66.31 -36.74 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.32 -50.14 64.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.111 0.482 . . . . 0.0 109.86 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.92 -46.71 93.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.187 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.829 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.65 -42.64 91.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.149 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.1 p -68.24 -44.34 75.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.493 0.664 . . . . 0.0 110.247 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . 0.764 ' NZ ' HD21 ' A' ' 717' ' ' LEU . 0.1 OUTLIER -57.61 -46.16 84.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.602 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.647 ' OH ' HD22 ' A' ' 717' ' ' LEU . 66.3 m-85 -85.92 -39.48 16.91 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.3 t70 -69.52 62.31 0.16 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.789 0.328 . . . . 0.0 111.308 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -64.22 -19.95 65.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.326 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -83.37 -14.0 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 58.07 29.46 62.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.881 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -90.13 11.09 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.298 . . . . 0.0 111.363 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 22.1 mm-40 54.38 28.34 9.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.41 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -146.0 137.65 24.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 111.421 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.671 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.4 tp -108.7 127.81 54.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.508 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 44.0 p -123.81 178.42 5.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.379 0.609 . . . . 0.0 112.193 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -35.27 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.235 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -51.2 64.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.671 ' OE1' HD12 ' A' ' 770' ' ' LEU . 3.4 mt-10 -63.47 -40.19 96.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -66.32 -34.83 78.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 779' ' ' ARG . 0.0 OUTLIER -56.86 -37.74 71.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -68.68 -31.37 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.62 ' HE1' HG21 ' A' ' 725' ' ' ILE . 32.7 ttm -56.98 -55.29 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.713 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER -65.57 -38.4 89.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 110.999 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -46.89 76.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.947 0.403 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.5 -33.36 75.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.495 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -71.09 -28.98 64.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.48 -43.64 48.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.435 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -30.93 65.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.989 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.75 24.37 13.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 788' ' ' ASP . 1.2 tt0 46.08 42.46 9.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.457 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 787' ' ' GLU . 0.4 OUTLIER 80.89 -48.27 0.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.46 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.1 -177.01 2.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.756 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.85 46.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.15 -39.02 8.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.339 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 124.98 121.17 2.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.562 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 39.2 m -74.51 -84.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.54 0.21 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.4 OUTLIER -33.37 149.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.0 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . 0.694 ' C ' HD11 ' A' ' 782' ' ' LEU . 2.1 mppt? -131.2 160.14 35.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -59.62 -26.06 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.265 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -68.58 -34.27 75.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.168 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 758' ' ' ILE . 0.2 OUTLIER -68.29 -49.22 61.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 111.035 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.606 HG22 ' HG2' ' A' ' 778' ' ' MET . 18.4 t -55.72 -34.9 37.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.414 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.51 -39.88 89.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.697 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 30.7 m-20 -72.09 -44.55 63.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.745 HD11 HD13 ' A' ' 758' ' ' ILE . 4.0 mt -71.05 -37.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 12.3 t -65.95 -48.01 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.558 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 12.3 pt-20 -58.48 -48.88 79.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.017 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 2.8 m -67.64 -32.68 73.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -69.78 -41.21 75.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.678 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -31.99 72.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.735 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -78.27 -26.58 47.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.707 ' HA3' HD21 ' A' ' 736' ' ' LEU . . . -78.63 -11.13 85.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.979 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 101.77 29.75 6.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.604 -0.807 . . . . 0.0 113.168 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.829 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 89.46 -40.78 3.03 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.324 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.686 ' C ' HD12 ' A' ' 736' ' ' LEU . 1.7 ptpt -127.38 147.81 50.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 111.214 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.897 ' HB2' HD13 ' A' ' 741' ' ' LEU . 5.5 mp -157.34 155.47 30.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.07 165.31 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.826 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.7 -44.66 27.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.579 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.52 -46.65 75.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 743' ' ' GLN . 0.8 OUTLIER -70.3 -45.97 65.21 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.087 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.3 tp -66.0 -43.55 87.38 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.15 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 2.8 ttp-105 -60.74 -44.05 97.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 4.2 pt20 -63.07 -38.42 91.12 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.864 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.5 OUTLIER -69.88 -31.52 69.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.071 178.697 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.511 HD13 HG12 ' A' ' 755' ' ' ILE . 6.8 mt -78.69 -42.22 29.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.431 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -38.91 92.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.294 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -65.97 -11.41 54.65 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.607 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -10.93 24.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.581 0.229 . . . . 0.0 111.249 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.25 29.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.004 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.462 ' CD2' HD23 ' A' ' 745' ' ' LEU . 95.7 m-70 -80.45 135.04 36.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.4 p -77.98 150.51 33.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.8 OUTLIER -59.58 -38.42 81.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.57 73.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -42.82 99.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.2 mt -65.33 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.072 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -65.8 -36.69 84.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.963 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.84 -50.06 65.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.142 0.496 . . . . 0.0 109.884 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.745 HD13 HD11 ' A' ' 725' ' ' ILE . 65.5 mt -61.33 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.826 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.0 OUTLIER -65.69 -42.74 90.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.057 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 756' ' ' GLU . 44.1 p -68.37 -44.24 75.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 109.945 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . 0.632 ' HD2' HD21 ' A' ' 717' ' ' LEU . 23.0 ttmm -57.48 -44.02 84.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.488 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 717' ' ' LEU . 57.3 m-85 -86.13 -39.82 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 25.0 t0 -69.67 62.22 0.17 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.733 0.301 . . . . 0.0 111.322 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.17 69.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.43 -14.05 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.338 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.9 47.69 58.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.021 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.64 20.34 12.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.785 0.326 . . . . 0.0 110.958 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 2.6 mp0 55.05 20.93 3.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.519 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -146.13 141.47 27.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.591 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.9 tp -106.46 127.22 53.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.643 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 7.0 m -110.95 160.34 16.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.155 0.502 . . . . 0.0 111.817 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -47.99 -31.55 5.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.925 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.07 -47.11 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE1' HD12 ' A' ' 770' ' ' LEU . 6.5 mt-10 -63.01 -40.92 99.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.611 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.404 ' CD2' ' CE ' ' A' ' 778' ' ' MET . 37.3 t-80 -66.43 -34.86 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.725 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.35 -36.17 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.679 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -68.27 -31.37 70.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.809 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.606 ' HG2' HG22 ' A' ' 722' ' ' VAL . 3.9 ttp -56.83 -46.49 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.997 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 722' ' ' VAL . 2.5 mtt-85 -65.56 -44.61 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -46.91 75.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.419 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.44 -47.51 85.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.362 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.694 HD11 ' C ' ' A' ' 718' ' ' LYS . 0.2 OUTLIER -60.32 -34.58 74.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.51 -179.582 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.58 -25.65 60.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -26.52 62.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.49 -53.35 4.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . 0.467 ' HG2' HD23 ' A' ' 782' ' ' LEU . 0.5 OUTLIER -103.29 99.45 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.058 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -115.07 103.97 11.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.52 41.08 3.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 789' ' ' LEU . 8.0 tt -77.93 119.34 21.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -38.17 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 12.9 mt -147.47 -87.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 153.29 88.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.4 m -58.49 157.9 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.591 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.2 OUTLIER -130.61 150.76 51.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -115.35 152.47 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -23.16 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.53 -43.12 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 725' ' ' ILE . 0.8 OUTLIER -65.44 -34.01 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.529 179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.985 HG21 HD12 ' A' ' 782' ' ' LEU . 74.8 t -71.07 -48.38 55.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.016 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -30.29 67.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.333 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.506 ' OD2' HD22 ' A' ' 745' ' ' LEU . 17.1 t0 -65.1 -48.84 72.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.595 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.816 HD13 ' CE ' ' A' ' 778' ' ' MET . 6.8 mt -71.21 -44.52 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.347 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . 0.428 ' CB ' ' CE1' ' A' ' 775' ' ' HIS . 0.9 OUTLIER -56.81 -47.88 79.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.418 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 13.0 pt-20 -57.54 -49.22 77.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.646 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 727' ' ' GLU . 42.1 m -67.11 -32.83 74.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.784 0.326 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.824 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.57 -39.39 77.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -32.26 73.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.082 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -33.08 74.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.695 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.05 7.18 67.02 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.972 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 87.52 48.6 4.19 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.621 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.618 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 53.82 19.28 9.98 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.327 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' ' 771' ' ' THR . 0.1 OUTLIER -153.61 125.35 7.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.9 0.35 . . . . 0.0 110.88 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 729' ' ' LEU . 4.1 mp -157.53 159.99 37.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.057 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -100.15 170.78 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.471 . . . . 0.0 111.378 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.843 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.85 -52.02 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.816 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.16 -46.53 90.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.639 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.0 mt-10 -69.82 -45.87 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.003 0.43 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.68 ' HG2' HD13 ' A' ' 755' ' ' ILE . 3.1 tmm_? -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.763 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -59.75 -41.48 91.07 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 743' ' ' GLN . 0.7 OUTLIER -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.904 178.374 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 755' ' ' ILE . 13.1 mt -77.44 -41.87 38.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.678 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.37 -38.95 93.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.444 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -67.34 -11.8 59.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.741 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -11.05 30.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.583 0.23 . . . . 0.0 111.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.56 32.97 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -85.1 140.65 30.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.663 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.33 159.27 20.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.251 0.548 . . . . 0.0 111.395 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.669 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -61.61 -37.91 85.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.992 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.81 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.29 -41.17 98.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.68 HD13 ' HG2' ' A' ' 742' ' ' ARG . 8.9 mt -66.56 -50.12 69.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.329 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 760' ' ' THR . 2.8 mt-10 -61.05 -34.05 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.538 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.45 -50.52 51.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 0.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 725' ' ' ILE . 48.2 mt -59.95 -45.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.033 178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.843 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.8 m-85 -65.87 -41.42 91.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.154 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 756' ' ' GLU . 27.8 p -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.137 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -57.22 -48.51 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.876 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.591 ' OH ' HD22 ' A' ' 717' ' ' LEU . 54.1 m-85 -86.07 -38.11 18.16 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 7.0 t70 -70.22 62.22 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.979 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.3 -31.85 70.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.277 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -73.26 -11.11 60.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.423 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 54.51 31.9 52.45 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.76 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 45.1 p30 -89.51 8.75 29.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.652 0.263 . . . . 0.0 111.262 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 55.7 29.67 14.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.352 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -146.04 132.84 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.0 111.391 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.722 HD12 ' OE2' ' A' ' 774' ' ' GLU . 3.7 tp -105.62 124.91 50.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.959 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.68 HG22 ' HG2' ' A' ' 735' ' ' LYS . 23.6 p -121.59 173.81 7.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.259 0.552 . . . . 0.0 112.03 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.08 -33.12 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.254 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.94 -50.1 67.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.722 ' OE2' HD12 ' A' ' 770' ' ' LEU . 1.2 mt-10 -62.87 -39.86 95.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.484 ' HA ' ' HG3' ' A' ' 778' ' ' MET . 26.2 t-80 -66.09 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.029 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -30.66 63.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.636 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -68.09 -31.25 70.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.539 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.816 ' CE ' HD13 ' A' ' 725' ' ' ILE . 1.5 mmt -56.81 -48.2 78.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.255 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.53 94.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -44.88 83.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.42 ' HA ' ' HG2' ' A' ' 784' ' ' LYS . 3.3 m-20 -60.13 -35.75 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.366 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.985 HD12 HG21 ' A' ' 722' ' ' VAL . 0.6 OUTLIER -71.12 -35.4 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.394 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -72.57 -27.76 62.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.726 -179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 785' ' ' GLU . 0.0 OUTLIER -71.27 -30.38 66.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.764 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 784' ' ' LYS . 2.6 tt0 -78.0 -41.26 36.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.545 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . 0.472 ' HD3' HD12 ' A' ' 789' ' ' LEU . 0.1 OUTLIER -122.74 104.11 9.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.89 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.6 93.17 6.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 78.11 -56.57 0.48 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.071 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . 0.472 HD12 ' HD3' ' A' ' 786' ' ' ARG . 0.5 OUTLIER 61.18 92.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.886 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.95 -44.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER 176.96 -60.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.993 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.443 ' N ' HD12 ' A' ' 791' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.47 131.33 6.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.5 m 71.59 10.96 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.675 0.274 . . . . 0.0 111.271 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 782' ' ' LEU . 68.0 mt 56.09 163.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.451 0.643 . . . . 0.0 111.816 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 109.78 7.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.259 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -56.21 -31.01 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.2 -39.2 82.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.826 HG21 HD11 ' A' ' 758' ' ' ILE . 3.3 m -73.66 -49.39 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 725' ' ' ILE . 60.2 t -55.45 -40.18 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.924 0.392 . . . . 0.0 110.278 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.93 -42.5 99.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.465 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 758' ' ' ILE . 3.9 mt -70.91 -37.75 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.537 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 6.0 p -58.18 -44.66 88.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.191 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -49.21 72.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 73.5 m -62.55 -32.64 73.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 741' ' ' LEU . 0.2 OUTLIER -69.62 -37.96 77.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -31.94 67.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -40.05 95.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.29 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.672 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -78.93 -11.08 85.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.923 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 99.79 41.79 2.81 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.814 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . 84.69 -51.46 4.56 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.195 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -102.48 141.65 34.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.0 0.429 . . . . 0.0 111.471 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.672 HD11 ' HA3' ' A' ' 732' ' ' GLY . 0.3 OUTLIER -157.43 148.68 21.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.528 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -93.01 164.64 13.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.642 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.864 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.82 -46.62 31.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.924 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -46.7 75.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.547 ' HB3' HD23 ' A' ' 736' ' ' LEU . 14.1 mt-10 -69.42 -45.9 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.594 HD13 ' CB ' ' A' ' 736' ' ' LEU . 5.6 tp -64.51 -44.11 91.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.1 0.476 . . . . 0.0 110.304 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 755' ' ' ILE . 6.7 ttm180 -59.48 -44.44 93.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -58.02 -45.36 87.05 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.23 0.538 . . . . 0.0 109.714 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -31.27 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.241 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.688 HD13 HG23 ' A' ' 755' ' ' ILE . 6.6 mt -77.49 -40.8 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.528 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -39.1 93.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -69.67 -14.42 69.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.432 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.61 -13.64 29.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.684 0.278 . . . . 0.0 111.244 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.58 4.63 28.33 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.922 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 745' ' ' LEU . 70.7 m-70 -81.87 135.29 35.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.721 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 2.2 m -81.23 155.86 25.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.073 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.4 OUTLIER -59.13 -37.38 77.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.954 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.42 90.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.22 -41.4 94.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.688 HG23 HD13 ' A' ' 745' ' ' LEU . 7.0 mt -67.78 -40.34 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.097 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.35 -34.7 77.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.7 -50.08 59.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.298 0.57 . . . . 0.0 109.731 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 721' ' ' THR . 72.2 mt -61.28 -46.89 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.391 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.864 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.7 m-85 -66.04 -42.98 88.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.454 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.89 -44.46 73.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.246 0.545 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . 0.479 ' HG3' ' CD2' ' A' ' 762' ' ' TYR . 5.0 ptpt -62.79 -40.93 98.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.947 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.479 ' CD2' ' HG3' ' A' ' 761' ' ' LYS . 49.8 m-85 -86.35 -37.9 18.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 759' ' ' PHE . 43.9 t0 -68.66 62.27 0.1 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.716 0.293 . . . . 0.0 111.176 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.34 -44.74 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.251 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.0 -13.21 61.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 52.3 44.87 58.36 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.011 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -95.7 20.74 9.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 738' ' ' PHE . 38.2 mm-40 50.92 25.95 2.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.484 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -145.99 136.04 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 111.523 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.71 HD12 ' OE2' ' A' ' 774' ' ' GLU . 4.0 tp -108.22 127.08 53.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.461 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 41.3 p -115.4 162.6 16.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.22 0.533 . . . . 0.0 111.861 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -29.86 4.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.955 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.0 -47.74 70.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.71 ' OE2' HD12 ' A' ' 770' ' ' LEU . 2.2 mt-10 -62.85 -38.96 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 778' ' ' MET . 28.0 t-80 -67.83 -34.82 77.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -56.74 -31.28 64.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -68.54 -31.21 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.482 ' CE ' HD13 ' A' ' 725' ' ' ILE . 0.0 OUTLIER -56.71 -48.8 76.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.57 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.316 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -47.05 74.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 111.216 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.765 ' HB3' HD11 ' A' ' 717' ' ' LEU . 11.7 m-20 -59.81 -43.0 94.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.209 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.886 ' HA ' HD12 ' A' ' 717' ' ' LEU . 0.3 OUTLIER -57.26 -36.32 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.292 -179.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . 0.549 ' CG ' HD21 ' A' ' 791' ' ' LEU . 1.6 mp0 -76.67 -29.56 56.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -65.27 -34.4 78.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.794 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -76.68 -42.58 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.768 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -124.37 98.45 5.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.65 154.92 22.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -156.18 54.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 22.2 mt 59.16 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -154.16 81.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.549 HD21 ' CG ' ' A' ' 783' ' ' GLU . 0.4 OUTLIER -56.81 -56.69 18.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -137.13 10.32 3.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.923 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.86 -58.2 2.1 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.955 0.407 . . . . 0.0 110.763 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.7 OUTLIER -130.6 152.78 49.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.694 179.734 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.44 127.85 47.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.581 ' HB2' HD21 ' A' ' 782' ' ' LEU . 12.6 tttt -59.17 -25.73 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.91 -25.63 66.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.538 HG23 HD13 ' A' ' 758' ' ' ILE . 56.3 m -70.82 -49.71 43.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 110.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.587 HG21 HD13 ' A' ' 782' ' ' LEU . 28.0 t -55.73 -35.0 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.039 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 727' ' ' GLU . 0.8 OUTLIER -61.48 -45.93 92.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.671 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.468 ' OD2' ' HA ' ' A' ' 721' ' ' THR . 0.6 OUTLIER -67.99 -41.31 82.51 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.693 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 745' ' ' LEU . 16.6 mm -70.86 -37.77 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.427 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 775' ' ' HIS . 36.0 t -59.65 -47.88 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.721 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 723' ' ' ASP . 1.3 mt-10 -62.14 -49.43 75.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 111.24 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 35.7 t -61.57 -35.71 78.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.381 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.838 ' HA ' HD13 ' A' ' 736' ' ' LEU . 0.2 OUTLIER -69.82 -39.11 76.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 111.13 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -67.81 -31.93 72.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.65 -31.51 72.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.681 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -96.08 0.73 62.44 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.6 -0.809 . . . . 0.0 113.226 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 95.04 46.9 2.75 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.385 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.574 ' HA2' HD23 ' A' ' 729' ' ' LEU . . . 55.44 17.11 11.69 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.045 -0.598 . . . . 0.0 113.216 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.631 ' C ' HD12 ' A' ' 736' ' ' LEU . 0.0 OUTLIER -153.8 125.5 7.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.813 0.307 . . . . 0.0 110.863 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.844 ' HB2' HD13 ' A' ' 741' ' ' LEU . 4.5 mp -155.33 157.59 37.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -96.85 168.73 10.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 0.0 111.347 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.855 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.81 -47.48 31.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.008 -179.482 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -65.27 -45.75 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.576 ' HB3' HD23 ' A' ' 736' ' ' LEU . 1.5 mt-10 -70.61 -45.94 64.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 736' ' ' LEU . 3.8 tp -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.037 0.446 . . . . 0.0 110.18 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 39.8 ttp180 -61.79 -45.11 95.26 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.106 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 740' ' ' GLU . 10.9 pt20 -61.8 -39.37 91.5 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.6 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 748' ' ' LYS . 0.9 OUTLIER -68.47 -31.16 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.97 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 725' ' ' ILE . 7.0 mt -77.48 -42.36 36.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.541 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.555 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -63.78 -9.11 31.36 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.16 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 750' ' ' HIS . 9.8 mmmm -104.5 -9.46 18.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.898 0.349 . . . . 0.0 111.442 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 107.6 6.02 33.44 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.591 ' CD2' HD23 ' A' ' 745' ' ' LEU . 99.2 m-70 -75.29 131.44 40.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.777 0.322 . . . . 0.0 110.681 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 3.8 p -74.6 145.48 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.067 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.757 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.1 OUTLIER -57.73 -39.69 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.047 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.1 82.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.03 -39.58 92.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 752' ' ' ASP . 8.0 mt -67.68 -40.58 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.84 -36.16 82.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.95 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 109.583 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.538 HD13 HG23 ' A' ' 721' ' ' THR . 42.5 mt -60.83 -47.98 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.439 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.855 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.5 m-85 -65.79 -42.99 90.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . . . . . . . . . 6.4 t -68.59 -44.38 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.469 0.652 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -57.6 -44.88 85.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.599 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 717' ' ' LEU . 56.2 m-85 -86.03 -39.84 16.4 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 5.7 t70 -69.91 62.22 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.322 . . . . 0.0 111.245 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -20.94 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.086 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -82.26 -13.96 56.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.392 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 57.21 30.9 61.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -91.29 12.91 18.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 52.46 27.62 5.15 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.453 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.07 138.29 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.975 0.417 . . . . 0.0 111.395 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.662 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.5 tp -109.97 128.09 55.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.713 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . . . . . . . . . 20.0 p -121.12 174.28 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.318 0.58 . . . . 0.0 111.892 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -29.5 34.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.312 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -51.23 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.662 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.9 mt-10 -62.94 -37.39 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.563 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 726' ' ' SER . 0.5 OUTLIER -68.58 -34.57 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -47.14 80.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 778' ' ' MET . 0.0 OUTLIER -64.19 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.702 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.578 ' HG2' HG22 ' A' ' 722' ' ' VAL . 38.8 ttm -56.93 -52.85 63.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -42.95 99.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.777 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -45.14 82.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.552 ' OD2' HD11 ' A' ' 717' ' ' LEU . 11.2 t70 -60.7 -35.98 77.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 722' ' ' VAL . 0.2 OUTLIER -66.05 -35.83 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.236 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.04 -25.45 58.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.19 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -26.18 60.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -93.09 -33.0 14.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.41 22.63 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.548 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.57 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.054 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.52 19.39 10.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.22 -76.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.02 96.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.688 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . . . . . . . . . 16.6 mt -149.04 82.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -99.54 28.17 16.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 4.1 m -58.87 171.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.67 HD22 ' OH ' ' A' ' 762' ' ' TYR . 0.0 OUTLIER -125.05 144.13 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.663 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -129.07 157.97 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' LYS . . . . . 0.489 ' N ' HD21 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -58.99 -20.68 55.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -71.67 -29.99 65.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' THR . . . . . 0.672 HG22 HD11 ' A' ' 725' ' ' ILE . 2.1 m -73.62 -49.5 25.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' VAL . . . . . 0.516 HG22 ' HG2' ' A' ' 778' ' ' MET . 20.8 t -55.73 -35.08 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.285 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -37.35 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.412 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 727' ' ' GLU . 48.2 m-20 -71.52 -47.59 54.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.672 HD11 HG22 ' A' ' 721' ' ' THR . 4.0 mt -70.9 -37.94 70.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.013 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' SER . . . . . . . . . . . . . 31.9 t -64.53 -47.86 77.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.777 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 724' ' ' ASP . 11.7 pt-20 -59.08 -49.19 78.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.724 0.297 . . . . 0.0 111.025 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' SER . . . . . . . . . . . . . 60.1 m -68.08 -32.53 72.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.026 0.441 . . . . 0.0 110.33 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' LEU . . . . . 0.791 HD21 ' O ' ' A' ' 734' ' ' GLY . 2.9 tm? -68.6 -41.11 80.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.586 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 730' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -31.89 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 731' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -31.32 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.285 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 732' ' ' GLY . . . . . 0.69 ' HA3' HD11 ' A' ' 736' ' ' LEU . . . -80.84 -11.21 84.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.063 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 97.45 35.29 5.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.237 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . 0.791 ' O ' HD21 ' A' ' 729' ' ' LEU . . . 87.02 -47.01 3.62 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.434 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -111.88 133.11 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' LEU . . . . . 0.796 ' HB2' HD13 ' A' ' 741' ' ' LEU . 0.8 OUTLIER -149.85 149.28 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.761 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -93.62 166.82 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' PHE . . . . . 0.82 ' CZ ' ' HB3' ' A' ' 759' ' ' PHE . 0.2 OUTLIER -47.59 -44.39 26.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.864 -179.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.23 -46.63 73.22 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 736' ' ' LEU . 2.3 mm-40 -70.48 -46.03 64.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.521 0.564 . . . . 0.0 112.521 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 736' ' ' LEU . 4.4 tp -65.42 -45.51 83.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.944 0.402 . . . . 0.0 110.229 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 738' ' ' PHE . 0.4 OUTLIER -58.76 -44.04 90.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.231 179.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -58.12 -44.53 87.79 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.152 0.501 . . . . 0.0 109.917 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.02 -31.45 72.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.26 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.668 HD13 HG23 ' A' ' 755' ' ' ILE . 9.4 mt -77.29 -41.07 42.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.569 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -39.18 93.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.176 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -66.57 -13.7 61.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.526 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -93.76 -13.79 26.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.618 0.247 . . . . 0.0 111.257 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' GLY . . . . . . . . . . . . . . . 110.48 8.79 24.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.978 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 724' ' ' ASP . 91.3 m-70 -82.78 135.21 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' THR . . . . . . . . . . . . . 4.8 p -80.68 155.66 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 755' ' ' ILE . 0.2 OUTLIER -59.4 -36.99 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.6 92.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.19 -42.89 83.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' ILE . . . . . 0.668 HG23 HD13 ' A' ' 745' ' ' LEU . 6.7 mt -67.72 -39.75 82.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 760' ' ' THR . 0.5 OUTLIER -67.72 -36.0 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.84 -50.15 63.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.111 0.482 . . . . 0.0 109.896 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' ILE . . . . . 0.642 HD13 HD11 ' A' ' 725' ' ' ILE . 67.6 mt -60.35 -45.81 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' PHE . . . . . 0.82 ' HB3' ' CZ ' ' A' ' 738' ' ' PHE . 1.2 m-85 -65.63 -41.55 92.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.947 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 756' ' ' GLU . 19.4 p -68.35 -44.15 75.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.519 0.676 . . . . 0.0 109.971 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -44.89 89.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.745 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' TYR . . . . . 0.67 ' OH ' HD22 ' A' ' 717' ' ' LEU . 64.0 m-85 -86.11 -40.08 16.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 759' ' ' PHE . 6.5 t70 -69.63 62.26 0.17 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.834 0.349 . . . . 0.0 111.283 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -20.91 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.268 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -82.21 -14.15 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.358 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . 56.94 30.35 60.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.808 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.22 16.57 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' GLN . . . . . 0.42 ' OE1' ' CD2' ' A' ' 738' ' ' PHE . 28.1 mm-40 50.29 29.73 3.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -145.52 135.39 23.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.074 0.464 . . . . 0.0 111.595 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.752 HD12 ' OE1' ' A' ' 774' ' ' GLU . 3.7 tp -106.58 126.47 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.576 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 772' ' ' GLU . 1.1 m -118.61 168.79 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.0 112.059 -178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.427 ' H ' HG22 ' A' ' 771' ' ' THR . 0.7 OUTLIER -49.46 -31.03 9.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.932 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -67.04 -49.47 65.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' GLU . . . . . 0.752 ' OE1' HD12 ' A' ' 770' ' ' LEU . 2.8 mt-10 -62.84 -40.9 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -65.93 -34.83 79.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.842 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -58.52 -40.88 84.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -62.73 -31.38 72.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' MET . . . . . 0.534 ' HE1' HD13 ' A' ' 725' ' ' ILE . 29.4 ttm -56.93 -45.64 82.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -65.01 -44.47 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.85 -46.9 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -35.62 78.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.051 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 717' ' ' LEU . 0.2 OUTLIER -71.02 -36.22 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -75.68 -27.63 58.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -25.36 67.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -70.9 -38.37 73.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.62 -66.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -159.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' ASP . . . . . 0.693 ' HA ' HD12 ' A' ' 791' ' ' LEU . 19.2 t0 73.0 57.93 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.94 0.4 . . . . 0.0 110.963 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.83 -31.79 6.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.65 50.82 0.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 788' ' ' ASP . 11.5 mt -126.85 76.03 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.919 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_