data_2rmz_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 2rmz _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 ' 695' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 699' ' ' SER . 79.2 t . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.849 -0.426 . . . . 1.68 109.849 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -71.24 -43.5 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.86 -0.422 . . . . 1.08 109.86 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 16.4 mt -61.25 -46.23 91.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 117.936 -1.506 . . . . 2.28 107.85 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.62 -46.13 89.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.786 0.327 . . . . 1.55 110.132 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 695' ' ' VAL . 39.2 m -60.73 -47.37 86.58 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 119.458 -0.897 . . . . 0.67 109.895 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.08 -46.53 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 108.538 -0.912 . . . . 1.61 108.538 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.2 mtp -62.05 -37.56 85.41 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.214 -0.595 . . . . 1.15 110.732 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.9 93.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.393 -1.083 . . . . 0.17 110.393 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.37 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.731 -0.734 . . . . 1.08 110.669 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.41 -44.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.552 -0.749 . . . . 1.66 110.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.85 -43.22 93.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.359 -0.536 . . . . 2.26 112.199 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.77 -41.09 96.12 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.126 0.788 . . . . 1.99 113.126 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -71.68 -40.19 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 119.969 -0.692 . . . . 1.44 110.065 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.61 89.26 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 119.098 -1.525 . . . . 0.15 110.602 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.35 -44.23 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.307 -0.557 . . . . 2.3 110.697 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.75 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.842 -0.743 . . . . 1.03 109.708 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.42 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.352 -0.84 . . . . 1.05 110.367 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.518 -0.31 . . . . 2.45 110.989 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.62 -41.89 75.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.452 -0.499 . . . . 1.82 111.491 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.61 -42.8 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 119.946 -0.702 . . . . 1.8 110.103 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -56.71 -46.9 80.98 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.846 -1.168 . . . . 0.36 107.846 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -43.19 99.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 1.35 111.188 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.83 -42.84 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.553 -0.459 . . . . 2.3 111.119 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.38 -38.91 85.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.077 -0.342 . . . . 1.94 110.077 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 80.5 mt -60.82 -40.12 84.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.681 -0.808 . . . . 1.66 110.403 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.1 m -61.56 -41.73 97.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.062 -0.972 . . . . 1.1 109.388 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.01 -40.96 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 113.554 0.946 . . . . 1.91 113.554 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 57.4 m80 . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 107.175 -1.417 . . . . 0.41 107.175 179.297 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.766 0.317 . . . . 1.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.61 -42.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.911 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.881 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.91 -42.8 94.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.552 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 69.9 m -59.65 -45.3 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.226 -0.59 . . . . 1.0 110.503 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.64 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.29 -37.23 86.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.19 -44.18 98.08 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.421 -1.071 . . . . 1.0 110.421 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.78 82.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.735 0.303 . . . . 1.0 110.958 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.3 -43.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.342 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.15 -43.86 93.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.932 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.55 -41.68 92.72 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.005 0.742 . . . . 1.0 113.005 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.6 tt -71.68 -38.91 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.098 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.28 96.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.61 -43.6 98.39 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.11 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.42 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.43 -42.51 99.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.05 -39.83 86.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.479 -0.328 . . . . 1.0 111.581 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.58 -43.74 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.514 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -57.55 -47.12 82.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -43.44 94.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.555 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.81 -41.85 98.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.445 -0.502 . . . . 1.0 109.991 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.603 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.5 mt -62.7 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.49 -42.24 95.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 12.6 m -63.14 -42.19 99.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 42.0 pt -68.89 -26.51 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.371 -0.532 . . . . 1.0 112.4 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.603 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 51.7 m80 . . . . . 0 N--CA 1.467 0.412 0 C-N-CA 119.539 -0.864 . . . . 1.0 110.153 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 120.6 0.238 . . . . 1.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.24 -45.08 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 111.954 0.353 . . . . 1.0 111.954 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.08 -44.43 96.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.856 -0.738 . . . . 1.0 109.966 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.19 -41.59 97.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.505 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.8 m -58.61 -46.27 87.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -45.61 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.15 -40.68 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.078 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.25 -43.62 95.39 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.332 -1.107 . . . . 1.0 110.332 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.36 78.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.901 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.6 -43.87 98.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.268 -0.573 . . . . 1.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.34 -42.56 98.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.886 -0.726 . . . . 1.0 111.083 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.19 -41.8 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.5 tt -70.66 -41.48 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 119.917 -0.713 . . . . 1.0 109.901 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.41 96.33 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.37 -1.092 . . . . 1.0 110.37 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.52 -44.42 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.858 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.87 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.085 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.19 96.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.667 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.91 -43.69 98.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.617 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.73 -41.3 79.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 1.0 111.257 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.9 -44.61 99.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.905 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -61.39 -47.55 85.3 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.018 -0.734 . . . . 1.0 109.018 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -42.65 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.607 0.242 . . . . 1.0 111.331 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.74 -42.3 99.6 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.33 -0.548 . . . . 1.0 111.098 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 97.3 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.306 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.0 0.428 . . . . 1.0 111.481 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 22.9 m -60.72 -41.96 96.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.593 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.18 -40.33 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.642 0.608 . . . . 1.0 112.642 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 49.4 m80 . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 119.53 -0.868 . . . . 1.0 109.779 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.786 0.327 . . . . 1.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.4 -44.31 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.48 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.41 -43.76 98.06 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.59 -44.08 95.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.919 0.39 . . . . 1.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.7 m -59.2 -44.98 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.179 -0.609 . . . . 1.0 110.256 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.76 -45.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.49 -39.56 93.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.195 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.61 98.7 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.07 87.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.63 0.252 . . . . 1.0 111.074 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.07 -44.02 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.219 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.72 -43.22 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.159 0.429 . . . . 1.0 112.159 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.91 -41.42 97.68 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.13 -36.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.036 -0.666 . . . . 1.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.84 89.92 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.213 -0.994 . . . . 1.0 111.102 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.2 -42.81 96.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.343 -0.543 . . . . 1.0 110.882 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.67 86.17 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.237 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.67 95.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.57 -42.68 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.443 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.41 -40.89 89.87 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.253 0.549 . . . . 1.0 111.034 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.71 -43.83 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.74 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.95 91.43 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.14 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.26 -41.81 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.657 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.5 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.9 mt -64.92 -40.4 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.765 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.94 -41.37 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 1.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -61.92 -41.52 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.003 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -41.14 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 113.104 0.779 . . . . 1.0 113.104 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.5 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 63.5 m80 . . . . . 0 C--N 1.329 -0.289 0 C-N-CA 119.824 -0.751 . . . . 1.0 110.116 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.98 -42.45 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.36 -44.99 92.63 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.985 -0.686 . . . . 1.0 109.449 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.34 -42.79 98.96 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.606 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 50.0 m -59.57 -44.77 93.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.488 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.65 -44.42 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.993 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.98 -37.95 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.38 99.28 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.0 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.938 -0.305 . . . . 1.0 110.949 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.13 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.915 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.99 -44.6 92.18 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.55 -41.37 96.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.2 tt -71.14 -40.2 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.552 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.25 97.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.601 -1.0 . . . . 1.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.81 -43.66 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.88 -42.1 88.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.518 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.18 96.54 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.449 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.22 -42.16 99.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.723 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.07 -39.94 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 1.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.79 -44.23 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.12 -48.24 82.32 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -43.84 88.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.137 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.93 -43.38 98.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.084 -0.246 . . . . 1.0 111.344 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.448 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.7 mt -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 1.0 110.695 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -42.25 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.042 0.448 . . . . 1.0 111.313 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 75.8 m -62.17 -41.94 98.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.301 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.23 -42.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.2 m80 . . . . . 0 C--N 1.33 -0.266 0 C-N-CA 119.416 -0.914 . . . . 1.0 109.517 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.678 0.275 . . . . 1.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 81.8 t -68.64 -44.16 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.723 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.1 -42.72 99.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.669 -0.812 . . . . 1.0 109.535 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -42.03 96.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.34 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 56.5 m -59.88 -45.9 91.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.505 -0.478 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 -44.48 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.59 -37.71 84.89 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -44.11 98.58 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.03 78.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.355 . . . . 1.0 110.61 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.25 -43.86 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.698 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.6 -46.2 89.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.153 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.54 -41.01 93.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.639 0.977 . . . . 1.0 113.639 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.42 -40.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.554 -0.858 . . . . 1.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.36 98.17 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.4 -43.89 97.74 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.173 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.83 75.88 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 1.0 110.137 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.95 -43.03 99.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.36 -40.05 74.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.596 0.591 . . . . 1.0 112.596 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 119.59 -0.844 . . . . 1.0 109.93 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.72 -46.03 90.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.537 -0.912 . . . . 1.0 108.537 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -43.43 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.853 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.72 -44.46 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.97 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.1 mp -64.93 -38.66 91.7 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.274 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.69 -41.81 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.044 0.45 . . . . 1.0 111.174 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 10.7 m -62.74 -41.85 99.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.893 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.99 -41.81 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.159 0.799 . . . . 1.0 113.159 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 67.5 m80 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 119.059 -1.057 . . . . 1.0 109.735 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.92 0.39 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.09 -42.81 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.408 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.98 -43.56 98.63 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.387 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.66 -43.82 95.6 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.835 0.35 . . . . 1.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.5 m -58.89 -43.71 91.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.679 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.09 -47.15 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.0 mtp -62.05 -39.32 91.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.825 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -43.33 99.56 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 109.845 -1.302 . . . . 1.0 109.845 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.25 87.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.301 -0.45 . . . . 1.0 111.459 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.53 -43.84 98.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.293 -0.563 . . . . 1.0 110.631 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.0 -42.0 97.31 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.739 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -42.37 97.23 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.87 0.693 . . . . 1.0 112.87 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 16.4 tt -71.52 -38.43 67.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.565 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.13 97.0 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.655 -0.978 . . . . 1.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.99 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.011 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.3 71.63 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.235 -0.586 . . . . 1.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.09 -42.46 99.24 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.445 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.35 -40.52 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 1.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.435 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -60.93 -47.51 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -43.76 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.741 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.78 -42.68 99.3 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.65 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.523 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 96.3 mt -64.91 -41.87 95.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.703 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.83 -42.16 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.378 . . . . 1.0 111.671 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 79.5 m -62.84 -41.12 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.9 -40.8 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.662 0.616 . . . . 1.0 112.662 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 62.8 m80 . . . . . 0 C--N 1.329 -0.308 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.297 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.796 0.331 . . . . 1.0 110.62 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.75 -44.36 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.176 0.435 . . . . 1.0 112.176 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.93 -43.38 98.95 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 119.579 -0.848 . . . . 1.0 110.459 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.84 -41.52 97.8 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.431 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 47.4 m -58.63 -45.33 89.47 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.105 -0.638 . . . . 1.0 110.091 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.76 -45.75 94.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.7 mtp -61.35 -39.04 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.061 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.16 -44.93 97.04 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.66 85.84 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.614 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.02 -44.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.75 -43.68 98.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.429 -0.508 . . . . 1.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.94 -42.06 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.031 0.752 . . . . 1.0 113.031 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 1.6 tp -70.93 -38.06 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.144 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.59 -44.46 97.92 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.221 -1.152 . . . . 1.0 110.221 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.37 -42.51 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.371 -0.532 . . . . 1.0 109.62 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.52 85.1 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.68 96.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.691 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.18 -41.73 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.214 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.41 -40.31 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 1.0 111.201 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.05 -43.72 97.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.749 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -56.57 -45.86 81.06 Favored 'General case' 0 C--N 1.335 -0.043 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -43.73 93.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.865 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.58 -42.32 98.68 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.133 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.556 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.4 mt -63.54 -42.18 98.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.08 -42.28 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 1.0 111.455 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -40.41 97.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.257 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.51 -38.55 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.556 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.4 m80 . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.707 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.636 0.255 . . . . 1.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.14 -43.4 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.13 0.418 . . . . 1.0 112.13 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -42.97 99.84 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.907 -0.717 . . . . 1.0 110.383 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -42.42 90.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.851 0.357 . . . . 1.0 111.077 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -57.42 -48.69 78.45 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 1.2 p -65.75 -40.09 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.187 -0.605 . . . . 1.0 109.955 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.14 -39.2 93.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.207 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.22 98.84 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.26 79.34 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.437 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.67 -44.14 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.97 -41.26 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.37 0.507 . . . . 1.0 112.37 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.6 -41.39 92.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.74 -39.18 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.989 -0.684 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.79 -44.29 94.28 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.236 -1.146 . . . . 1.0 110.236 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.18 -43.78 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.461 -0.496 . . . . 1.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.57 -37.78 79.39 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.974 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.2 97.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.181 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.06 -42.12 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.823 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.12 -39.82 78.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.896 0.379 . . . . 1.0 110.588 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.09 -43.55 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 1.0 109.684 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -58.16 -47.49 83.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.106 -0.702 . . . . 1.0 109.106 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.04 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.474 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.31 -43.4 98.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.707 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.2 mm? -64.95 -39.6 93.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.439 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.02 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.615 -0.434 . . . . 1.0 111.016 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.5 m -61.93 -41.03 97.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.744 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.31 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.648 0.61 . . . . 1.0 112.648 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 64.5 m80 . . . . . 0 CA--C 1.52 -0.189 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.566 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 121.046 0.45 . . . . 1.0 110.053 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.06 -44.69 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 1.0 111.654 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.52 -42.97 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.179 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.62 -44.03 97.3 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.905 0.383 . . . . 1.0 110.332 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -59.12 -47.18 86.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.322 -0.551 . . . . 1.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.11 -44.45 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.3 mtp -62.92 -38.53 91.37 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.675 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.16 99.24 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.335 -0.936 . . . . 1.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.32 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.69 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.31 -44.56 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.69 -42.34 98.01 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.556 -0.458 . . . . 1.0 111.783 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.33 -42.13 98.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.44 -38.83 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.526 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.39 98.21 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.142 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.03 -43.65 98.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.63 85.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.08 97.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.2 -40.75 98.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.92 -39.82 79.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.139 0.495 . . . . 1.0 111.505 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.15 -43.15 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.484 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.34 -48.34 82.0 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -44.0 94.17 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.582 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.975 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.492 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.7 mt -63.93 -40.91 97.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 1.0 110.978 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.21 -41.64 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.4 m -61.92 -40.09 94.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.223 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.66 -40.39 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 112.134 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.1 m80 . . . . . 0 C--N 1.33 -0.254 0 C-N-CA 119.752 -0.779 . . . . 1.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 1.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.41 -43.79 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.501 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.18 -43.1 99.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.037 -0.665 . . . . 1.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.89 -43.07 97.13 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.471 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 58.6 m -58.82 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.239 -0.584 . . . . 1.0 109.916 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.74 -46.28 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.5 mtp -62.13 -37.98 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.88 -43.27 99.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.852 -1.299 . . . . 1.0 109.852 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.621 -0.289 . . . . 1.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.36 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.137 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.72 -43.94 95.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.821 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.44 -42.0 98.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.11 -38.59 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.442 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.5 -43.15 96.13 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.517 -1.033 . . . . 1.0 110.517 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.58 -43.91 97.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.179 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.33 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.175 -0.61 . . . . 1.0 110.098 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.82 94.32 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.54 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.81 -43.19 99.46 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.75 0.309 . . . . 1.0 111.298 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.62 -39.64 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.168 0.508 . . . . 1.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.81 -42.86 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 1.0 109.623 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.32 -45.89 87.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.808 -0.812 . . . . 1.0 108.808 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -43.07 92.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.607 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.53 -43.85 95.95 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.829 -0.348 . . . . 1.0 111.71 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.9 mp -63.99 -41.41 97.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.482 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.45 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 112.586 0.587 . . . . 1.0 112.586 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.6 m -62.12 -40.31 95.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.71 0.633 . . . . 1.0 112.71 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 29.9 pt -68.13 -22.41 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.897 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 . . . . . 0 N--CA 1.465 0.289 0 C-N-CA 119.943 -0.703 . . . . 1.0 109.761 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 65.9 t . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.209 0.528 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.47 -44.63 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.441 -0.799 . . . . 1.0 112.219 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.98 -43.45 98.82 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.953 -0.699 . . . . 1.0 109.515 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.46 -42.52 98.61 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.5 m -58.69 -45.75 88.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.566 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.12 -44.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.541 -0.463 . . . . 1.0 109.923 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.33 -37.25 84.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.93 96.85 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.571 -1.012 . . . . 1.0 110.571 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.49 82.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 1.0 111.307 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.32 -43.87 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.449 -0.501 . . . . 1.0 110.307 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.031 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.8 -41.65 95.63 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.232 0.456 . . . . 1.0 112.232 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.23 -39.8 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 120.083 -0.647 . . . . 1.0 110.602 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.94 -43.41 96.82 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.252 -0.975 . . . . 1.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.95 -44.25 96.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 1.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.81 85.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.764 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.15 96.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.44 -44.42 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.055 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.44 -38.02 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.904 -0.718 . . . . 1.0 110.523 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.022 -0.671 . . . . 1.0 109.808 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -55.86 -45.66 78.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.414 -0.958 . . . . 1.0 108.414 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -44.15 86.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.317 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.68 -42.64 99.74 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.484 -0.486 . . . . 1.0 111.523 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.515 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 10.3 mp -63.82 -40.48 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.332 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.33 -42.34 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.61 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 23.0 m -61.99 -40.86 97.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.83 -42.08 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.635 0.976 . . . . 1.0 113.635 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 56.2 m80 . . . . . 0 C--N 1.325 -0.458 0 C-N-CA 119.772 -0.771 . . . . 1.0 109.505 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 82.5 t -68.35 -43.0 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 111.781 0.289 . . . . 1.0 111.781 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.38 -44.13 97.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.068 -0.653 . . . . 1.0 110.691 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.74 -42.59 97.83 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.034 0.445 . . . . 1.0 111.052 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.9 m -58.09 -46.79 84.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.017 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.84 -46.72 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.455 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.55 -36.97 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.654 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.95 98.17 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.65 -38.13 74.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.083 0.468 . . . . 1.0 110.269 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 3.8 mm -64.15 -43.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.06 -45.49 91.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.521 -0.471 . . . . 1.0 111.429 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.22 -41.68 96.91 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.466 0.913 . . . . 1.0 113.466 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.7 tt -70.06 -40.1 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.206 -0.598 . . . . 1.0 110.515 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.57 99.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.305 -0.95 . . . . 1.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.67 -42.43 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.212 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.24 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.841 -0.743 . . . . 1.0 110.338 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.16 97.07 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.28 -42.67 99.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.355 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.03 -39.11 83.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 1.0 111.114 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.87 -43.73 99.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.042 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -55.84 -46.35 78.19 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -42.36 93.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.136 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.97 -44.93 95.71 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.955 0.354 . . . . 1.0 111.955 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.426 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 11.2 mp -64.71 -40.09 94.77 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.751 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.4 -42.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.91 0.386 . . . . 1.0 111.682 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -62.54 -40.34 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.571 . . . . 1.0 111.63 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.58 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 56.0 m80 . . . . . 0 N--CA 1.465 0.306 0 C-N-CA 119.893 -0.723 . . . . 1.0 110.709 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 56.2 t . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 1.0 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.29 -43.82 87.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.302 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.51 -44.28 96.19 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.702 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -44.01 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.982 0.42 . . . . 1.0 110.709 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.4 m -58.13 -45.61 87.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.618 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.64 -46.64 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 82.0 mtp -61.42 -38.52 87.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.433 -0.803 . . . . 1.0 111.727 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.53 96.59 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.64 75.6 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.465 0.542 . . . . 1.0 112.465 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.27 -42.78 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.561 -0.856 . . . . 1.0 110.633 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.85 -43.3 96.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.292 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.05 -41.6 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.39 -36.58 55.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 119.859 -0.736 . . . . 1.0 110.409 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.66 -43.0 94.55 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.33 -43.98 97.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 1.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.16 -36.63 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.69 94.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.667 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -42.16 99.3 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.669 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.25 -38.96 82.34 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.731 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.243 -0.583 . . . . 1.0 109.655 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -57.95 -47.59 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.008 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.39 -44.38 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.003 -0.279 . . . . 1.0 111.3 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.52 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 85.6 mt -64.34 -40.91 96.81 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.453 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.22 -42.17 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.878 -0.329 . . . . 1.0 111.723 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 73.3 m -62.64 -41.9 99.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 1.0 110.911 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . 0.401 HD11 HG23 ' A' ' 721' ' ' ILE . 91.1 mt -63.18 -40.97 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 1.0 112.45 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.7 m80 . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 119.24 -0.984 . . . . 1.0 108.994 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.2 -42.94 88.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.283 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.11 -44.43 96.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.6 -42.03 95.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.96 0.409 . . . . 1.0 110.931 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 66.3 m -58.11 -46.23 85.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.859 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.34 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.32 -45.79 95.74 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.25 -1.14 . . . . 1.0 110.25 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.11 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.91 -43.57 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.591 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.97 -43.7 94.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.25 -40.23 93.73 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.496 0.554 . . . . 1.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 5.0 tt -70.79 -39.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.915 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.65 -44.2 97.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.594 -1.002 . . . . 1.0 110.594 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.76 -42.77 99.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.172 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.92 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.95 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.336 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.87 -40.72 97.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.007 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -41.09 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 1.0 111.649 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.91 -42.9 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.192 -0.603 . . . . 1.0 109.966 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -54.49 -45.39 73.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.625 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -43.23 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.823 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.646 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 11.0 mp -66.69 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.071 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.69 -41.52 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 C-N-CA 120.114 -0.635 . . . . 1.0 110.283 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.7 m -63.95 -42.87 97.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.797 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.5 tt -66.32 -32.16 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.361 0.504 . . . . 1.0 112.361 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 119.6 -0.84 . . . . 1.0 109.464 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 696' ' ' VAL . 1.4 m . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.681 0.277 . . . . 1.0 110.681 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . 0.431 ' N ' ' CG2' ' A' ' 695' ' ' VAL . 74.8 t -67.91 -43.05 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.284 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.13 -44.05 97.93 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.944 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -42.85 95.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 74.7 m -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.0 -0.68 . . . . 1.0 110.393 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.71 -46.18 95.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.617 -0.433 . . . . 1.0 109.969 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -61.53 -39.11 89.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.081 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.39 99.3 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.729 -0.948 . . . . 1.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.9 90.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.441 -0.379 . . . . 1.0 111.803 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -43.86 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.695 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.56 -42.9 95.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.324 0.49 . . . . 1.0 112.324 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.54 -42.04 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.862 0.69 . . . . 1.0 112.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.0 tt -71.8 -38.65 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.549 -0.461 . . . . 1.0 111.01 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.64 -42.82 91.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.846 -1.302 . . . . 1.0 109.846 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.85 -43.56 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.58 90.35 Favored 'General case' 0 N--CA 1.461 0.085 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.444 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.16 -42.2 99.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.374 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.5 mt -68.09 -40.1 82.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.252 0.549 . . . . 1.0 110.585 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.28 -43.88 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.122 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.02 -47.05 84.23 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.748 -0.834 . . . . 1.0 108.748 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -42.84 98.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.041 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 mt -61.72 -43.1 99.5 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.3 mt -63.32 -41.54 98.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.757 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.22 -41.55 93.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.115 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.3 m -62.94 -42.22 99.74 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.193 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.91 -42.06 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.754 0.65 . . . . 1.0 112.754 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 55.2 m80 . . . . . 0 C--N 1.326 -0.419 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.224 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.13 -43.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.625 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.89 -44.13 94.39 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.924 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.019 0.438 . . . . 1.0 110.63 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.4 m -58.11 -48.11 81.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.813 -0.631 . . . . 1.0 111.805 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.04 -41.14 91.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.274 -0.57 . . . . 1.0 109.801 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.9 -39.37 91.75 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.763 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.14 -43.5 99.33 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.11 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.585 -0.307 . . . . 1.0 110.961 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.4 -45.98 88.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.69 -0.404 . . . . 1.0 111.536 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.22 -41.56 96.98 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.71 -40.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.041 -0.664 . . . . 1.0 110.578 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.54 -42.56 94.08 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.9 -42.5 97.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 1.0 110.51 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.54 83.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.525 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.53 94.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.828 . . . . 1.0 109.849 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.393 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.22 -39.61 75.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.471 . . . . 1.0 111.321 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.66 -43.08 96.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.242 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -54.76 -46.2 74.31 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.67 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.13 -43.62 98.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.961 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.527 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.4 mm? -64.86 -38.86 92.4 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.268 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.42 -41.15 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.094 0.473 . . . . 1.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.6 m -63.11 -42.16 99.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.412 -0.813 . . . . 1.0 111.045 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.75 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 65.5 m80 . . . . . 0 C--N 1.325 -0.47 0 C-N-CA 119.234 -0.986 . . . . 1.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.91 -42.58 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.56 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.78 -44.01 94.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.91 -42.68 99.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 1.0 110.527 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 55.8 m -58.03 -46.9 84.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.516 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.71 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.082 0.468 . . . . 1.0 110.176 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.0 mtp -62.6 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.877 -0.602 . . . . 1.0 111.43 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.95 98.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.51 80.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.525 -0.338 . . . . 1.0 111.104 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 32.4 mm -64.44 -44.39 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.37 -42.46 92.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.057 0.391 . . . . 1.0 112.057 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.93 -41.44 95.53 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.47 0.545 . . . . 1.0 112.47 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.81 -40.54 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 120.194 -0.603 . . . . 1.0 111.196 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.28 97.13 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.15 -1.024 . . . . 1.0 110.802 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.47 -44.91 93.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.398 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.22 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.35 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.396 -0.82 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.27 -42.64 98.98 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.61 -38.68 84.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.597 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.96 -45.03 99.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.317 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.62 -45.13 89.89 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.939 -0.763 . . . . 1.0 108.939 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -44.8 86.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.623 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.2 -42.85 99.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.561 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 90.6 mt -64.04 -43.3 95.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.348 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.65 -41.88 94.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.037 0.446 . . . . 1.0 111.514 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -61.06 -43.11 99.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.7 -39.45 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.832 0.679 . . . . 1.0 112.832 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.4 m80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.27 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.925 0.393 . . . . 1.0 110.688 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 85.1 t -68.77 -42.73 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.87 -42.3 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.67 -41.76 95.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.7 m -58.26 -47.89 82.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.697 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.49 -41.7 93.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 120.053 -0.659 . . . . 1.0 109.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.58 -38.83 91.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.685 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.94 98.54 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.363 -1.095 . . . . 1.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.191 -0.504 . . . . 1.0 110.781 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.02 -44.82 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.72 -44.95 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.722 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.46 -41.48 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.97 0.729 . . . . 1.0 112.97 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -70.77 -39.1 75.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.118 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.33 -44.19 96.74 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.385 -0.526 . . . . 1.0 109.697 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.21 80.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.798 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.63 88.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.861 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.38 -40.88 98.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.118 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.0 mt -66.6 -41.1 88.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.213 0.53 . . . . 1.0 110.826 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.7 mm -63.09 -43.62 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.347 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -58.71 -48.31 81.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.588 -0.893 . . . . 1.0 108.588 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.853 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.57 -42.46 98.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.634 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.7 mt -64.39 -41.2 96.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.775 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.82 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 1.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 87.1 m -62.77 -42.18 99.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.264 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.7 -41.38 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 59.8 m80 . . . . . 0 C--N 1.326 -0.451 0 C-N-CA 119.494 -0.882 . . . . 1.0 109.8 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.436 0.16 . . . . 1.0 111.274 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.99 -44.62 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 111.904 0.335 . . . . 1.0 111.904 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.28 -46.25 89.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.93 -42.4 94.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.187 -0.205 . . . . 1.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 71.4 m -59.03 -45.76 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.456 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.25 -45.22 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.025 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.2 mtp -60.99 -38.19 85.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.563 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.96 98.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.486 -1.045 . . . . 1.0 110.486 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.302 . . . . 1.0 111.351 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.831 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.6 -41.76 96.0 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.104 0.409 . . . . 1.0 112.104 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.22 -41.37 99.12 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.81 -36.64 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.874 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.1 94.69 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.426 -0.892 . . . . 1.0 111.342 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.72 -42.8 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.32 -0.552 . . . . 1.0 110.326 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.83 95.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.143 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.55 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.583 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.93 -40.49 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 1.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.28 -42.54 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.553 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -56.63 -46.82 80.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -44.68 92.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.197 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.72 -43.07 99.75 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.108 -0.637 . . . . 1.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.525 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 93.0 mt -63.89 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.261 -0.576 . . . . 1.0 110.48 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.16 -41.89 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.95 0.405 . . . . 1.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.1 m -61.83 -41.9 98.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.062 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 27.9 mm -63.94 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.788 0.662 . . . . 1.0 112.788 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 63.2 m80 . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.061 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.459 0.016 0 CA-C-O 120.534 0.206 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.72 -46.57 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.55 0.574 . . . . 1.0 112.55 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.13 -43.0 99.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.754 -0.778 . . . . 1.0 110.846 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.69 -44.23 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.663 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.2 m -59.28 -44.25 92.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.269 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.74 -45.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.522 -0.547 . . . . 1.0 109.522 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.72 -39.95 95.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.83 0.347 . . . . 1.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.98 -43.2 99.73 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.375 -1.49 . . . . 1.0 109.375 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.39 76.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.352 -0.424 . . . . 1.0 110.58 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.86 -44.48 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.013 0.435 . . . . 1.0 110.22 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -44.52 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.836 -178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.743 0.646 . . . . 1.0 112.743 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.02 -38.36 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.733 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.3 -42.64 99.19 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.215 -0.993 . . . . 1.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.96 -43.07 99.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.437 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.14 81.3 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.933 -0.707 . . . . 1.0 109.703 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.29 96.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 1.0 110.135 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.76 -43.06 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.325 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.7 -40.01 80.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.588 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.96 -43.53 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.677 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.21 -49.03 79.25 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -39.98 89.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.908 -178.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.37 -43.48 98.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.363 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 718' ' ' LEU . . . . . 0.56 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.9 mt -64.08 -43.8 94.34 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.667 -0.413 . . . . 1.0 111.222 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.93 -41.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -62.12 -41.73 98.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.042 0.449 . . . . 1.0 110.453 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.43 -38.71 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 112.255 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 722' ' ' HIS . . . . . 0.56 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 48.3 m80 . . . . . 0 N--CA 1.465 0.293 0 C-N-CA 119.689 -0.804 . . . . 1.0 110.402 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.801 ' C ' ' H ' ' A' ' 687' ' ' SER . 5.7 Cg_endo . . . . . 0 N--CA 1.492 1.412 0 N-CA-C 108.505 -1.383 . . . . 14.02 108.505 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 685' ' ' PRO . 74.0 mt-10 71.01 -26.65 0.17 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 123.244 1.497 . . . . 13.15 107.152 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.801 ' H ' ' C ' ' A' ' 685' ' ' PRO . 1.2 p -121.76 64.32 16.8 Favored Pre-proline 0 N--CA 1.405 -2.694 0 N-CA-C 101.161 -3.644 . . . . 9.76 101.161 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 690' ' ' GLY . 7.4 Cg_endo -50.07 -18.86 3.51 Favored 'Trans proline' 0 CA--C 1.49 -1.709 0 N-CA-C 104.286 -3.005 . . . . 9.77 104.286 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 691' ' ' PRO . 0.2 OUTLIER 43.55 -100.81 0.04 OUTLIER 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 111.134 -2.757 . . . . 9.93 105.289 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . 0.641 ' C ' ' O ' ' A' ' 689' ' ' LYS . . . -2.68 63.46 0.0 OUTLIER Glycine 0 C--N 1.362 2.023 0 N-CA-C 107.719 -2.153 . . . . 5.29 107.719 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . 0.833 ' N ' ' O ' ' A' ' 689' ' ' LYS . 1.0 OUTLIER -80.43 -66.16 0.02 OUTLIER 'Trans proline' 1 CA--C 1.443 -4.074 1 N-CA-C 100.328 -4.528 . . . . 5.99 100.328 -174.796 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 696' ' ' VAL . 97.2 m-20 54.6 23.12 4.43 Favored 'General case' 0 N--CA 1.386 -3.64 0 CA-C-N 109.362 -3.563 . . . . 2.75 108.392 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 697' ' ' LEU . 56.5 mt -68.27 -49.92 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.036 1 N-CA-C 99.169 -4.382 . . . . 2.0 99.169 172.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.02 -47.9 83.54 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 113.48 -1.691 . . . . 1.98 109.998 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 699' ' ' SER . 79.2 t -66.55 -43.49 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.335 0.971 . . . . 1.68 109.849 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . 0.6 ' N ' ' O ' ' A' ' 692' ' ' ASP . 72.5 t -71.24 -43.5 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.86 -0.422 . . . . 1.08 109.86 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 693' ' ' ILE . 16.4 mt -61.25 -46.23 91.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 117.936 -1.506 . . . . 2.28 107.85 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.62 -46.13 89.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.786 0.327 . . . . 1.55 110.132 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 695' ' ' VAL . 39.2 m -60.73 -47.37 86.58 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 119.458 -0.897 . . . . 0.67 109.895 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.08 -46.53 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 108.538 -0.912 . . . . 1.61 108.538 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.2 mtp -62.05 -37.56 85.41 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.214 -0.595 . . . . 1.15 110.732 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.9 93.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.393 -1.083 . . . . 0.17 110.393 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.37 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.731 -0.734 . . . . 1.08 110.669 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.41 -44.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.552 -0.749 . . . . 1.66 110.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.85 -43.22 93.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.359 -0.536 . . . . 2.26 112.199 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.77 -41.09 96.12 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.126 0.788 . . . . 1.99 113.126 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -71.68 -40.19 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 119.969 -0.692 . . . . 1.44 110.065 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.61 89.26 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 119.098 -1.525 . . . . 0.15 110.602 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.35 -44.23 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.307 -0.557 . . . . 2.3 110.697 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.75 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.842 -0.743 . . . . 1.03 109.708 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.42 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.352 -0.84 . . . . 1.05 110.367 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.518 -0.31 . . . . 2.45 110.989 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.62 -41.89 75.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.452 -0.499 . . . . 1.82 111.491 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.61 -42.8 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 119.946 -0.702 . . . . 1.8 110.103 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -56.71 -46.9 80.98 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.846 -1.168 . . . . 0.36 107.846 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -43.19 99.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 1.35 111.188 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.83 -42.84 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.553 -0.459 . . . . 2.3 111.119 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.38 -38.91 85.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.077 -0.342 . . . . 1.94 110.077 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 80.5 mt -60.82 -40.12 84.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.681 -0.808 . . . . 1.66 110.403 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.1 m -61.56 -41.73 97.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.062 -0.972 . . . . 1.1 109.388 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.01 -40.96 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 113.554 0.946 . . . . 1.91 113.554 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -58.52 -57.79 11.4 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 107.175 -1.417 . . . . 0.41 107.175 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.498 ' O ' ' O ' ' A' ' 724' ' ' ARG . 29.5 t70 -86.82 83.29 7.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.312 -0.996 . . . . 2.33 108.312 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 725' ' ' LYS . 50.5 mtm180 -62.0 -116.75 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 107.309 -1.367 . . . . 7.26 107.309 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 724' ' ' ARG . 0.0 OUTLIER 98.9 -14.11 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.761 0.663 . . . . 7.86 111.365 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.28 79.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.778 -0.452 . . . . 8.45 109.778 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 725' ' ' LYS . 46.0 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.308 -0.853 . . . . 11.42 111.011 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.482 0.803 0 N-CA-C 109.566 -0.975 . . . . 1.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -122.09 128.53 51.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.613 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.5 p -178.48 74.43 0.21 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.639 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -55.52 -37.36 95.09 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.594 2.196 . . . . 1.0 111.85 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.5 -40.23 96.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.476 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 48.26 71.67 0.55 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . 0.445 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 17.6 Cg_exo -63.18 143.47 89.96 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.092 2.528 . . . . 1.0 112.295 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 97.6 m-20 -139.75 -54.36 0.55 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.23 -42.72 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.28 -39.98 88.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.76 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.86 -43.45 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.281 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.61 -42.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.911 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.881 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.91 -42.8 94.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.552 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 69.9 m -59.65 -45.3 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.226 -0.59 . . . . 1.0 110.503 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.64 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.29 -37.23 86.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.19 -44.18 98.08 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.421 -1.071 . . . . 1.0 110.421 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.78 82.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.735 0.303 . . . . 1.0 110.958 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.3 -43.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.342 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.15 -43.86 93.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.932 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.55 -41.68 92.72 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.005 0.742 . . . . 1.0 113.005 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.6 tt -71.68 -38.91 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.098 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.28 96.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.61 -43.6 98.39 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.11 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.42 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.43 -42.51 99.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.05 -39.83 86.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.479 -0.328 . . . . 1.0 111.581 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.58 -43.74 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.514 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -57.55 -47.12 82.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -43.44 94.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.555 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.81 -41.85 98.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.445 -0.502 . . . . 1.0 109.991 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.603 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.5 mt -62.7 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.49 -42.24 95.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 12.6 m -63.14 -42.19 99.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 42.0 pt -68.89 -26.51 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.371 -0.532 . . . . 1.0 112.4 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.603 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 51.7 m80 -56.49 -46.04 80.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.539 -0.864 . . . . 1.0 110.153 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.24 103.15 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -82.87 151.78 25.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 1.0 111.148 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -41.23 96.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.758 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -136.87 161.54 35.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.885 -1.055 . . . . 1.0 110.788 -179.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 N--CA 1.487 1.147 0 N-CA-C 109.526 -0.99 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -116.83 127.86 54.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.971 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.02 79.69 0.37 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.995 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.34 146.37 96.73 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.605 2.87 . . . . 1.0 112.872 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.9 128.19 28.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 177.68 160.08 23.69 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -60.55 141.26 94.86 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.284 1.989 . . . . 1.0 112.448 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 694' ' ' LEU . 78.9 m-20 -68.88 133.97 48.97 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 99.1 mt -50.84 -21.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.063 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 692' ' ' ASP . 84.8 mt -61.73 -42.09 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.896 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.02 -41.04 91.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.215 -0.594 . . . . 1.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.24 -45.08 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 111.954 0.353 . . . . 1.0 111.954 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.08 -44.43 96.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.856 -0.738 . . . . 1.0 109.966 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.19 -41.59 97.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.505 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.8 m -58.61 -46.27 87.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -45.61 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.15 -40.68 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.078 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.25 -43.62 95.39 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.332 -1.107 . . . . 1.0 110.332 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.36 78.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.901 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.6 -43.87 98.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.268 -0.573 . . . . 1.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.34 -42.56 98.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.886 -0.726 . . . . 1.0 111.083 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.19 -41.8 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.5 tt -70.66 -41.48 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 119.917 -0.713 . . . . 1.0 109.901 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.41 96.33 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.37 -1.092 . . . . 1.0 110.37 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.52 -44.42 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.858 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.87 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.085 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.19 96.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.667 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.91 -43.69 98.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.617 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.73 -41.3 79.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 1.0 111.257 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.9 -44.61 99.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.905 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -61.39 -47.55 85.3 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.018 -0.734 . . . . 1.0 109.018 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -42.65 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.607 0.242 . . . . 1.0 111.331 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.74 -42.3 99.6 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.33 -0.548 . . . . 1.0 111.098 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 97.3 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.306 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.0 0.428 . . . . 1.0 111.481 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 22.9 m -60.72 -41.96 96.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.593 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.18 -40.33 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.642 0.608 . . . . 1.0 112.642 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 49.4 m80 -54.15 -48.58 70.7 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.53 -0.868 . . . . 1.0 109.779 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -105.07 115.1 29.7 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.839 0.352 . . . . 1.0 110.588 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.2 -41.54 98.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -92.81 138.25 31.65 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.094 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.72 -43.26 97.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.336 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 76.0 t80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.617 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.483 0.901 0 N-CA-C 109.465 -1.013 . . . . 1.0 109.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -139.73 151.79 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.788 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 58.3 159.03 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.092 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 147.26 62.67 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.498 2.132 . . . . 1.0 112.71 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -82.73 146.77 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.73 79.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.16 144.69 99.28 Favored 'Trans proline' 0 C--N 1.302 -1.882 0 C-N-CA 122.189 1.926 . . . . 1.0 111.529 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 57.09 33.38 23.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.216 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 694' ' ' LEU . 20.1 tt -67.69 -41.09 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 693' ' ' ILE . 81.3 mt -60.71 -41.1 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.813 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.49 -42.85 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.4 -44.31 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.48 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.41 -43.76 98.06 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.59 -44.08 95.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.919 0.39 . . . . 1.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.7 m -59.2 -44.98 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.179 -0.609 . . . . 1.0 110.256 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.76 -45.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.49 -39.56 93.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.195 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.61 98.7 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.07 87.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.63 0.252 . . . . 1.0 111.074 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.07 -44.02 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.219 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.72 -43.22 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.159 0.429 . . . . 1.0 112.159 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.91 -41.42 97.68 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.13 -36.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.036 -0.666 . . . . 1.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.84 89.92 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.213 -0.994 . . . . 1.0 111.102 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.2 -42.81 96.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.343 -0.543 . . . . 1.0 110.882 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.67 86.17 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.237 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.67 95.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.57 -42.68 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.443 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.41 -40.89 89.87 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.253 0.549 . . . . 1.0 111.034 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.71 -43.83 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.74 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.95 91.43 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.14 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.26 -41.81 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.657 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.5 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.9 mt -64.92 -40.4 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.765 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.94 -41.37 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 1.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -61.92 -41.52 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.003 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -41.14 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 113.104 0.779 . . . . 1.0 113.104 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.5 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 63.5 m80 -53.25 -45.81 68.92 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.824 -0.751 . . . . 1.0 110.116 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 722' ' ' HIS . 96.1 m-20 -18.64 121.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.103 0.877 . . . . 1.0 112.615 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -88.12 140.02 29.91 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.32 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.25 -46.62 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.682 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -78.6 138.2 38.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.667 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 83.5 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.433 179.552 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.479 ' H2 ' ' H ' ' A' ' 686' ' ' GLU . 9.0 Cg_endo . . . . . 0 N--CA 1.485 0.984 0 N-CA-C 110.003 -0.806 . . . . 1.0 110.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . 0.479 ' H ' ' H2 ' ' A' ' 685' ' ' PRO . 97.0 mt-10 -67.3 -43.7 81.04 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.64 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 67.8 m -137.41 71.19 53.22 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-O 120.843 0.354 . . . . 1.0 110.623 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 -38.19 73.82 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 123.027 2.485 . . . . 1.0 112.433 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.26 -40.07 96.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.63 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 142.74 168.21 11.77 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.7 -1.36 . . . . 1.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.95 148.96 58.49 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.289 1.993 . . . . 1.0 112.093 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 55.7 31.63 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.658 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 694' ' ' LEU . 10.7 tp -65.6 -40.11 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.145 -1.058 . . . . 1.0 108.145 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 693' ' ' ILE . 82.7 mt -61.59 -41.63 97.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.059 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.29 -44.08 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.98 -42.45 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.36 -44.99 92.63 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.985 -0.686 . . . . 1.0 109.449 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.34 -42.79 98.96 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.606 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 50.0 m -59.57 -44.77 93.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.488 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.65 -44.42 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.993 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.98 -37.95 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.38 99.28 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.0 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.938 -0.305 . . . . 1.0 110.949 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.13 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.915 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.99 -44.6 92.18 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.55 -41.37 96.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.2 tt -71.14 -40.2 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.552 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.25 97.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.601 -1.0 . . . . 1.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.81 -43.66 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.88 -42.1 88.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.518 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.18 96.54 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.449 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.22 -42.16 99.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.723 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.07 -39.94 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 1.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.79 -44.23 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.12 -48.24 82.32 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -43.84 88.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.137 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.93 -43.38 98.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.084 -0.246 . . . . 1.0 111.344 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.448 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.7 mt -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 1.0 110.695 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -42.25 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.042 0.448 . . . . 1.0 111.313 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 75.8 m -62.17 -41.94 98.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.301 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.23 -42.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.2 m80 -54.07 -46.84 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.416 -0.914 . . . . 1.0 109.517 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 723' ' ' ASP . 22.5 p-10 -104.62 106.68 17.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.43 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.93 -39.4 90.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.955 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.49 -44.22 97.47 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.521 -0.471 . . . . 1.0 110.517 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 55.79 74.5 0.38 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.432 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 69.7 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.61 -179.799 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.479 0.626 0 N-CA-C 108.792 -1.272 . . . . 1.0 108.792 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.28 -36.49 79.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 24.2 m 42.68 75.32 0.64 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.241 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 690' ' ' GLY . 22.8 Cg_exo -60.65 143.56 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.304 2.003 . . . . 1.0 111.883 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 688' ' ' PRO . 98.9 mttt 35.77 -93.48 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.239 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 688' ' ' PRO . . . -122.12 -170.42 13.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.132 -0.787 . . . . 1.0 111.132 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.94 140.69 91.57 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.751 2.301 . . . . 1.0 111.848 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -140.43 -48.04 0.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.479 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.08 -42.47 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.82 -0.808 . . . . 1.0 108.82 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.92 -41.29 95.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.709 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.02 -43.54 99.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.678 0.275 . . . . 1.0 110.941 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 81.8 t -68.64 -44.16 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.723 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.1 -42.72 99.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.669 -0.812 . . . . 1.0 109.535 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.2 -42.03 96.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.34 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 56.5 m -59.88 -45.9 91.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.505 -0.478 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 -44.48 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.59 -37.71 84.89 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -44.11 98.58 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.03 78.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.355 . . . . 1.0 110.61 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.25 -43.86 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.698 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.6 -46.2 89.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.153 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.54 -41.01 93.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.639 0.977 . . . . 1.0 113.639 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.42 -40.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.554 -0.858 . . . . 1.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.36 98.17 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.4 -43.89 97.74 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.173 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.83 75.88 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 1.0 110.137 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.95 -43.03 99.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.36 -40.05 74.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.596 0.591 . . . . 1.0 112.596 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 119.59 -0.844 . . . . 1.0 109.93 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.72 -46.03 90.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.537 -0.912 . . . . 1.0 108.537 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -43.43 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.853 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.72 -44.46 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.97 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.1 mp -64.93 -38.66 91.7 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.274 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.69 -41.81 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.044 0.45 . . . . 1.0 111.174 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 10.7 m -62.74 -41.85 99.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.893 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.99 -41.81 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.159 0.799 . . . . 1.0 113.159 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 67.5 m80 -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.059 -1.057 . . . . 1.0 109.735 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -100.37 111.53 23.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.781 0.324 . . . . 1.0 110.656 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.16 -35.95 82.46 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.816 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -61.4 -43.03 99.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.039 -0.265 . . . . 1.0 111.433 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 138.22 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.656 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 54.3 p90 . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.75 -179.492 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 686' ' ' GLU . 9.4 Cg_endo . . . . . 0 N--CA 1.482 0.845 0 N-CA-C 109.493 -1.003 . . . . 1.0 109.493 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 685' ' ' PRO . 96.7 mt-10 57.17 131.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.617 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 1.3 p -159.98 72.11 3.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.494 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -54.52 -41.47 76.79 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.612 2.208 . . . . 1.0 111.329 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -109.51 128.42 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.043 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -60.66 171.07 7.27 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.91 154.71 53.41 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.009 2.472 . . . . 1.0 111.733 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 139.92 57.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 1.0 110.952 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.35 -42.36 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.61 -0.885 . . . . 1.0 108.61 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 694' ' ' LEU . 10.9 mp -61.71 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.701 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.59 -43.3 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.39 . . . . 1.0 110.634 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.09 -42.81 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.408 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.98 -43.56 98.63 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.387 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.66 -43.82 95.6 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.835 0.35 . . . . 1.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.5 m -58.89 -43.71 91.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.679 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.09 -47.15 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.0 mtp -62.05 -39.32 91.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.825 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -43.33 99.56 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 109.845 -1.302 . . . . 1.0 109.845 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.25 87.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.301 -0.45 . . . . 1.0 111.459 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.53 -43.84 98.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.293 -0.563 . . . . 1.0 110.631 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.0 -42.0 97.31 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.739 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -42.37 97.23 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.87 0.693 . . . . 1.0 112.87 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 16.4 tt -71.52 -38.43 67.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.565 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.13 97.0 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.655 -0.978 . . . . 1.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.99 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.011 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.3 71.63 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.235 -0.586 . . . . 1.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.09 -42.46 99.24 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.445 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.35 -40.52 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 1.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.435 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -60.93 -47.51 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -43.76 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.741 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.78 -42.68 99.3 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.65 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.523 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 96.3 mt -64.91 -41.87 95.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.703 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.83 -42.16 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.378 . . . . 1.0 111.671 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 723' ' ' ASP . 79.5 m -62.84 -41.12 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.9 -40.8 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.662 0.616 . . . . 1.0 112.662 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 62.8 m80 -54.22 -46.97 72.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.297 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 720' ' ' THR . 93.2 m-20 -98.49 114.59 27.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.168 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.738 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.74 137.75 44.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.912 0.387 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.97 -37.24 85.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.627 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 727' ' ' PHE . 51.3 p90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.096 -0.954 . . . . 1.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo . . . . . 0 N--CA 1.487 1.097 0 N-CA-C 109.41 -1.034 . . . . 1.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.41 134.06 45.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.987 0.423 . . . . 1.0 110.281 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 8.5 t -142.62 73.39 19.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.163 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.56 -28.4 64.76 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.59 2.193 . . . . 1.0 111.776 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -108.42 144.52 35.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 153.97 75.72 0.02 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -53.11 -39.74 79.12 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.48 2.12 . . . . 1.0 112.549 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -81.08 95.54 6.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.342 0.592 . . . . 1.0 111.275 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.73 -42.03 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.852 . . . . 1.0 109.374 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.79 -41.78 96.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.713 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.65 -43.84 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.796 0.331 . . . . 1.0 110.62 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.75 -44.36 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.176 0.435 . . . . 1.0 112.176 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.93 -43.38 98.95 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 119.579 -0.848 . . . . 1.0 110.459 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.84 -41.52 97.8 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.431 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 47.4 m -58.63 -45.33 89.47 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.105 -0.638 . . . . 1.0 110.091 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.76 -45.75 94.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.7 mtp -61.35 -39.04 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.061 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.16 -44.93 97.04 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.66 85.84 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.614 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.02 -44.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.75 -43.68 98.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.429 -0.508 . . . . 1.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.94 -42.06 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.031 0.752 . . . . 1.0 113.031 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 1.6 tp -70.93 -38.06 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.144 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.59 -44.46 97.92 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.221 -1.152 . . . . 1.0 110.221 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.37 -42.51 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.371 -0.532 . . . . 1.0 109.62 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.52 85.1 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.68 96.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.691 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.18 -41.73 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.214 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.41 -40.31 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 1.0 111.201 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.05 -43.72 97.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.749 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -56.57 -45.86 81.06 Favored 'General case' 0 C--N 1.335 -0.043 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -43.73 93.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.865 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.58 -42.32 98.68 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.133 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.556 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.4 mt -63.54 -42.18 98.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.08 -42.28 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 1.0 111.455 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -40.41 97.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.257 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.51 -38.55 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.556 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.4 m80 -52.44 -45.31 65.95 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.707 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 722' ' ' HIS . 90.6 m-20 -19.33 95.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.779 0.675 . . . . 1.0 112.378 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.34 -38.9 88.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.45 -46.47 89.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.657 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.68 -40.65 97.33 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.454 -0.498 . . . . 1.0 109.988 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.936 -1.03 . . . . 1.0 110.6 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo . . . . . 0 N--CA 1.481 0.791 0 N-CA-C 109.47 -1.012 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.06 -36.03 79.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 1.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 57.0 p -136.13 79.84 42.78 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.769 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.64 156.8 31.93 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.421 2.081 . . . . 1.0 112.591 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.954 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -168.79 -165.06 25.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.3 145.42 98.42 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.668 2.245 . . . . 1.0 112.231 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.25 -16.26 14.63 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.403 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.64 -42.5 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.153 0.501 . . . . 1.0 109.72 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.59 -42.69 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.454 -0.794 . . . . 1.0 111.833 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.06 -43.37 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.14 -43.4 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.13 0.418 . . . . 1.0 112.13 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -42.97 99.84 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.907 -0.717 . . . . 1.0 110.383 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -42.42 90.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.851 0.357 . . . . 1.0 111.077 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -57.42 -48.69 78.45 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 1.2 p -65.75 -40.09 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.187 -0.605 . . . . 1.0 109.955 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.14 -39.2 93.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.207 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.22 98.84 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.26 79.34 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.437 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.67 -44.14 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.97 -41.26 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.37 0.507 . . . . 1.0 112.37 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.6 -41.39 92.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.74 -39.18 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.989 -0.684 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.79 -44.29 94.28 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.236 -1.146 . . . . 1.0 110.236 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.18 -43.78 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.461 -0.496 . . . . 1.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.57 -37.78 79.39 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.974 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.2 97.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.181 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.06 -42.12 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.823 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.12 -39.82 78.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.896 0.379 . . . . 1.0 110.588 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.09 -43.55 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 1.0 109.684 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -58.16 -47.49 83.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.106 -0.702 . . . . 1.0 109.106 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -44.04 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.474 -178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.31 -43.4 98.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.707 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.2 mm? -64.95 -39.6 93.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.439 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.02 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.615 -0.434 . . . . 1.0 111.016 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.5 m -61.93 -41.03 97.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.744 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.31 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.648 0.61 . . . . 1.0 112.648 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 64.5 m80 -53.65 -47.83 69.96 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.566 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -101.76 110.12 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.854 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.46 145.02 54.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.48 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.36 -35.62 81.49 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.496 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.44 -40.97 80.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.164 -0.922 . . . . 1.0 111.409 -179.289 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.403 ' H2 ' ' H ' ' A' ' 686' ' ' GLU . 2.0 Cg_endo . . . . . 0 N--CA 1.483 0.896 0 N-CA-C 109.823 -0.876 . . . . 1.0 109.823 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . 0.403 ' H ' ' H2 ' ' A' ' 685' ' ' PRO . 95.7 mt-10 -64.76 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 1.0 109.893 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 46.8 m 43.38 79.34 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.274 -0.875 . . . . 1.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -53.69 -39.77 82.18 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 121.977 1.785 . . . . 1.0 111.757 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 690' ' ' GLY . 64.4 pttt -143.57 148.24 35.63 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.998 0.427 . . . . 1.0 111.521 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 689' ' ' LYS . . . 44.95 -175.46 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.786 -0.643 . . . . 1.0 112.146 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -52.39 -40.71 70.31 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 123.383 2.722 . . . . 1.0 112.892 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 689' ' ' LYS . 88.7 m-20 54.55 31.82 15.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.407 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 694' ' ' LEU . 20.1 tt -67.21 -40.49 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 693' ' ' ILE . 86.2 mt -61.44 -42.55 98.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.427 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -42.22 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.046 0.45 . . . . 1.0 110.053 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.06 -44.69 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 1.0 111.654 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.52 -42.97 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.179 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.62 -44.03 97.3 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.905 0.383 . . . . 1.0 110.332 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -59.12 -47.18 86.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.322 -0.551 . . . . 1.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.11 -44.45 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.3 mtp -62.92 -38.53 91.37 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.675 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.16 99.24 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.335 -0.936 . . . . 1.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.32 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.69 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.31 -44.56 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.69 -42.34 98.01 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.556 -0.458 . . . . 1.0 111.783 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.33 -42.13 98.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.44 -38.83 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.526 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.39 98.21 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.142 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.03 -43.65 98.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.024 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.63 85.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.08 97.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.2 -40.75 98.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.92 -39.82 79.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.139 0.495 . . . . 1.0 111.505 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.15 -43.15 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.484 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.34 -48.34 82.0 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -44.0 94.17 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.582 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.975 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.492 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.7 mt -63.93 -40.91 97.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 1.0 110.978 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.21 -41.64 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.4 m -61.92 -40.09 94.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.223 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.66 -40.39 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 112.134 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.1 m80 -53.58 -49.32 67.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.752 -0.779 . . . . 1.0 109.608 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -98.46 108.63 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.898 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -94.68 152.11 18.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.981 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -96.28 141.77 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.091 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.81 -39.38 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.174 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.928 -1.034 . . . . 1.0 110.807 -179.652 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.484 0.964 0 N-CA-C 109.528 -0.989 . . . . 1.0 109.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -135.46 149.33 49.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.822 0.344 . . . . 1.0 110.714 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.43 156.72 78.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.661 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.17 143.18 63.91 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.562 2.175 . . . . 1.0 111.653 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -77.22 135.44 38.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.768 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.68 71.83 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.598 -1.001 . . . . 1.0 110.598 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -53.76 -38.4 85.03 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.694 2.262 . . . . 1.0 112.042 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 55.15 28.98 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.213 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.06 -43.05 95.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.114 -1.069 . . . . 1.0 108.114 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.75 -41.19 97.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.65 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -43.81 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 1.0 110.937 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.41 -43.79 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.501 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.18 -43.1 99.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.037 -0.665 . . . . 1.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.89 -43.07 97.13 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.471 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 58.6 m -58.82 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.239 -0.584 . . . . 1.0 109.916 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.74 -46.28 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.5 mtp -62.13 -37.98 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.88 -43.27 99.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.852 -1.299 . . . . 1.0 109.852 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.621 -0.289 . . . . 1.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.36 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.137 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.72 -43.94 95.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.821 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.44 -42.0 98.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.11 -38.59 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.442 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.5 -43.15 96.13 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.517 -1.033 . . . . 1.0 110.517 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.58 -43.91 97.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.179 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.33 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.175 -0.61 . . . . 1.0 110.098 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.82 94.32 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.54 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.81 -43.19 99.46 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.75 0.309 . . . . 1.0 111.298 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.62 -39.64 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.168 0.508 . . . . 1.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.81 -42.86 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 1.0 109.623 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.32 -45.89 87.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.808 -0.812 . . . . 1.0 108.808 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -43.07 92.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.607 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.53 -43.85 95.95 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.829 -0.348 . . . . 1.0 111.71 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.9 mp -63.99 -41.41 97.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.482 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.45 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 112.586 0.587 . . . . 1.0 112.586 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.6 m -62.12 -40.31 95.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.71 0.633 . . . . 1.0 112.71 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 29.9 pt -68.13 -22.41 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.897 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 -56.91 -43.65 81.61 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.943 -0.703 . . . . 1.0 109.761 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 722' ' ' HIS . 48.7 t0 -21.44 -47.01 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.124 0.89 . . . . 1.0 112.551 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 722' ' ' HIS . 84.8 mtp180 -122.46 148.75 44.77 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.461 -0.57 . . . . 1.0 109.461 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 726' ' ' GLU . 98.3 mttt -63.55 -40.39 96.88 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.803 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 725' ' ' LYS . 82.7 tt0 45.13 92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.941 -1.028 . . . . 1.0 110.922 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.037 -1.178 . . . . 1.0 109.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 686' ' ' GLU . 54.9 mp0 -63.92 145.71 55.34 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.3 p -147.31 72.75 11.95 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -60.46 145.18 99.2 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.569 2.179 . . . . 1.0 111.683 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -126.39 146.71 49.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.286 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -56.78 -165.36 0.05 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.03 143.94 99.52 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.293 1.995 . . . . 1.0 111.632 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -109.16 -21.55 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.755 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.79 -40.45 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.415 -0.957 . . . . 1.0 108.415 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.27 -41.29 98.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.558 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.01 -43.31 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 1.0 110.558 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.47 -44.63 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.441 -0.799 . . . . 1.0 112.219 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.98 -43.45 98.82 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.953 -0.699 . . . . 1.0 109.515 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.46 -42.52 98.61 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.5 m -58.69 -45.75 88.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.566 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.12 -44.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.541 -0.463 . . . . 1.0 109.923 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.33 -37.25 84.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.93 96.85 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.571 -1.012 . . . . 1.0 110.571 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.49 82.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 1.0 111.307 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.32 -43.87 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.449 -0.501 . . . . 1.0 110.307 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.031 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.8 -41.65 95.63 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.232 0.456 . . . . 1.0 112.232 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.23 -39.8 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 120.083 -0.647 . . . . 1.0 110.602 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.94 -43.41 96.82 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.252 -0.975 . . . . 1.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.95 -44.25 96.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 1.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.81 85.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.764 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.15 96.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.44 -44.42 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.055 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.44 -38.02 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.904 -0.718 . . . . 1.0 110.523 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.022 -0.671 . . . . 1.0 109.808 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -55.86 -45.66 78.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.414 -0.958 . . . . 1.0 108.414 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -44.15 86.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.317 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.68 -42.64 99.74 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.484 -0.486 . . . . 1.0 111.523 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.515 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 10.3 mp -63.82 -40.48 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.332 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.33 -42.34 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.61 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 723' ' ' ASP . 23.0 m -61.99 -40.86 97.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.952 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.83 -42.08 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.635 0.976 . . . . 1.0 113.635 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 56.2 m80 -53.3 -46.63 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.772 -0.771 . . . . 1.0 109.505 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 725' ' ' LYS . 55.7 p-10 -158.16 167.28 30.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.193 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -131.08 142.98 50.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.84 0.352 . . . . 1.0 110.577 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 723' ' ' ASP . 62.5 mttp -133.64 146.37 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.306 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.72 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 1.0 110.501 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.768 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.485 0.99 0 N-CA-C 109.473 -1.01 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 140.34 53.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.279 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.52 164.21 0.34 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.965 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.68 151.11 79.51 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.518 2.146 . . . . 1.0 112.786 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.37 144.55 51.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.205 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.41 -56.63 7.45 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . 0.451 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 20.2 Cg_exo -60.3 143.47 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.394 2.062 . . . . 1.0 111.659 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 96.5 m-20 -143.4 104.91 4.3 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.327 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.79 -42.09 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.553 -0.536 . . . . 1.0 109.553 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.3 -41.55 97.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.747 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -43.92 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 82.5 t -68.35 -43.0 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 111.781 0.289 . . . . 1.0 111.781 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.38 -44.13 97.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.068 -0.653 . . . . 1.0 110.691 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.74 -42.59 97.83 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.034 0.445 . . . . 1.0 111.052 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.9 m -58.09 -46.79 84.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.017 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.84 -46.72 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.455 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.55 -36.97 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.654 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.95 98.17 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.65 -38.13 74.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.083 0.468 . . . . 1.0 110.269 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 3.8 mm -64.15 -43.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.06 -45.49 91.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.521 -0.471 . . . . 1.0 111.429 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.22 -41.68 96.91 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.466 0.913 . . . . 1.0 113.466 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.7 tt -70.06 -40.1 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.206 -0.598 . . . . 1.0 110.515 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.57 99.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.305 -0.95 . . . . 1.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.67 -42.43 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.212 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.24 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.841 -0.743 . . . . 1.0 110.338 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.16 97.07 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.28 -42.67 99.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.355 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.03 -39.11 83.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 1.0 111.114 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.87 -43.73 99.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.042 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -55.84 -46.35 78.19 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -42.36 93.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.136 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.97 -44.93 95.71 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.955 0.354 . . . . 1.0 111.955 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.426 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 11.2 mp -64.71 -40.09 94.77 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.751 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.4 -42.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.91 0.386 . . . . 1.0 111.682 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -62.54 -40.34 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.571 . . . . 1.0 111.63 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.58 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 56.0 m80 -57.05 -49.86 74.53 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.893 -0.723 . . . . 1.0 110.709 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -102.43 111.85 24.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.705 -0.479 . . . . 1.0 109.705 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -93.04 106.27 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.159 0.504 . . . . 1.0 110.7 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.73 -43.54 93.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.228 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -115.19 120.64 40.4 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.845 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.044 -0.979 . . . . 1.0 110.518 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo . . . . . 0 N--CA 1.486 1.068 0 N-CA-C 109.824 -0.876 . . . . 1.0 109.824 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -116.52 129.64 56.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.105 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.551 ' N ' ' CD ' ' A' ' 688' ' ' PRO . 0.0 OUTLIER 179.05 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.999 -0.28 . . . . 1.0 111.374 179.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 687' ' ' SER . 32.5 Cg_exo -57.56 -33.8 97.07 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.569 2.179 . . . . 1.0 111.953 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.8 tttm 44.7 26.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.064 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.81 171.69 26.01 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . 0.447 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 42.9 Cg_exo -53.58 -41.56 72.68 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.176 1.917 . . . . 1.0 112.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 96.2 m-20 -143.67 136.73 27.65 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.114 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 40.4 pt -54.97 -31.16 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.05 -1.093 . . . . 1.0 108.05 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.57 -43.04 99.81 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.243 -0.89 . . . . 1.0 111.5 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.95 -43.91 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 1.0 110.637 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.29 -43.82 87.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.302 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.51 -44.28 96.19 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.702 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -44.01 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.982 0.42 . . . . 1.0 110.709 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.4 m -58.13 -45.61 87.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.618 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.64 -46.64 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 82.0 mtp -61.42 -38.52 87.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.433 -0.803 . . . . 1.0 111.727 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.53 96.59 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.64 75.6 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.465 0.542 . . . . 1.0 112.465 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.27 -42.78 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.561 -0.856 . . . . 1.0 110.633 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.85 -43.3 96.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.292 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.05 -41.6 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.39 -36.58 55.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 119.859 -0.736 . . . . 1.0 110.409 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.66 -43.0 94.55 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.33 -43.98 97.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 1.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.16 -36.63 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.69 94.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.667 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -42.16 99.3 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.669 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.25 -38.96 82.34 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.731 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.243 -0.583 . . . . 1.0 109.655 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -57.95 -47.59 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.008 -179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.39 -44.38 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.003 -0.279 . . . . 1.0 111.3 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.52 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 85.6 mt -64.34 -40.91 96.81 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.453 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.22 -42.17 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.878 -0.329 . . . . 1.0 111.723 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 723' ' ' ASP . 73.3 m -62.64 -41.9 99.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 1.0 110.911 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . 0.401 HD11 HG23 ' A' ' 721' ' ' ILE . 91.1 mt -63.18 -40.97 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 1.0 112.45 -178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.7 m80 -53.39 -47.12 69.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 119.24 -0.984 . . . . 1.0 108.994 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 720' ' ' THR . 59.0 t0 -100.97 109.92 21.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.28 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -82.23 140.93 33.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.009 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.4 140.6 34.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.151 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.88 132.66 54.04 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . 0.471 ' CD2' ' OXT' ' A' ' 727' ' ' PHE . 74.4 t80 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.484 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.482 0.812 0 N-CA-C 109.602 -0.961 . . . . 1.0 109.602 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.2 -38.79 82.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.881 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.58 172.26 7.67 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.764 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 690' ' ' GLY . 15.6 Cg_exo -60.44 144.38 99.51 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.752 1.634 . . . . 1.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 41.03 -96.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.245 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 688' ' ' PRO . . . 168.06 171.59 34.14 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . 0.447 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 61.3 Cg_endo -72.2 150.79 54.03 Favored 'Trans proline' 0 C--N 1.301 -1.973 0 C-N-CA 123.049 2.499 . . . . 1.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 98.6 m-20 -140.23 -46.91 0.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.933 0.397 . . . . 1.0 110.746 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 36.9 pt -56.36 -26.99 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.81 -41.8 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.29 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.62 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.739 0.304 . . . . 1.0 111.105 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.2 -42.94 88.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.283 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.11 -44.43 96.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.6 -42.03 95.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.96 0.409 . . . . 1.0 110.931 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 66.3 m -58.11 -46.23 85.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.859 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.34 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.32 -45.79 95.74 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.25 -1.14 . . . . 1.0 110.25 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.11 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.91 -43.57 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.591 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.97 -43.7 94.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.25 -40.23 93.73 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.496 0.554 . . . . 1.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 5.0 tt -70.79 -39.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.915 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.65 -44.2 97.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.594 -1.002 . . . . 1.0 110.594 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.76 -42.77 99.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.172 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.92 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.95 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.336 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.87 -40.72 97.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.007 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -41.09 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 1.0 111.649 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.91 -42.9 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.192 -0.603 . . . . 1.0 109.966 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -54.49 -45.39 73.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.625 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -43.23 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.823 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.646 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 11.0 mp -66.69 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.071 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.69 -41.52 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 C-N-CA 120.114 -0.635 . . . . 1.0 110.283 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.7 m -63.95 -42.87 97.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.797 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.5 tt -66.32 -32.16 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.361 0.504 . . . . 1.0 112.361 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 -56.76 -45.77 81.84 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.6 -0.84 . . . . 1.0 109.464 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.78 115.48 30.63 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.183 0.516 . . . . 1.0 110.911 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -62.84 -40.08 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.141 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.35 149.25 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.829 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -133.02 143.19 49.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 1.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.846 -1.073 . . . . 1.0 110.408 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.481 0.738 0 N-CA-C 109.168 -1.128 . . . . 1.0 109.168 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.39 130.54 53.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.177 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 687' ' ' SER . 39.0 p -171.89 71.67 0.47 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.256 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.83 146.12 97.96 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.503 2.135 . . . . 1.0 111.609 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.49 144.02 50.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -94.52 -171.16 37.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.661 -0.78 . . . . 1.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.47 143.84 99.48 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.08 2.52 . . . . 1.0 112.527 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -74.72 139.12 43.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.528 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -51.26 -25.77 4.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.953 -0.758 . . . . 1.0 108.953 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.51 -41.66 98.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.837 -0.62 . . . . 1.0 112.5 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 696' ' ' VAL . 1.4 m -61.39 -41.71 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.681 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . 0.431 ' N ' ' CG2' ' A' ' 695' ' ' VAL . 74.8 t -67.91 -43.05 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.284 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.13 -44.05 97.93 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.944 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -42.85 95.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 74.7 m -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.0 -0.68 . . . . 1.0 110.393 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.71 -46.18 95.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.617 -0.433 . . . . 1.0 109.969 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -61.53 -39.11 89.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.081 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.39 99.3 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.729 -0.948 . . . . 1.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.9 90.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.441 -0.379 . . . . 1.0 111.803 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -43.86 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.695 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.56 -42.9 95.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.324 0.49 . . . . 1.0 112.324 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.54 -42.04 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.862 0.69 . . . . 1.0 112.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.0 tt -71.8 -38.65 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.549 -0.461 . . . . 1.0 111.01 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.64 -42.82 91.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.846 -1.302 . . . . 1.0 109.846 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.85 -43.56 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.58 90.35 Favored 'General case' 0 N--CA 1.461 0.085 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.444 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.16 -42.2 99.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.374 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.5 mt -68.09 -40.1 82.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.252 0.549 . . . . 1.0 110.585 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.28 -43.88 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.122 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.02 -47.05 84.23 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.748 -0.834 . . . . 1.0 108.748 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -42.84 98.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.041 -178.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 55.1 mt -61.72 -43.1 99.5 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.3 mt -63.32 -41.54 98.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.757 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.22 -41.55 93.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.115 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.3 m -62.94 -42.22 99.74 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.193 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.91 -42.06 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.754 0.65 . . . . 1.0 112.754 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 55.2 m80 -54.9 -47.05 74.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.224 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -98.1 103.98 15.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 1.0 110.23 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -134.05 129.78 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.058 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.03 141.64 37.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.084 0.469 . . . . 1.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.87 -37.42 84.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.683 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.133 -0.937 . . . . 1.0 110.768 -179.528 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.478 0.567 0 N-CA-C 109.615 -0.956 . . . . 1.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 56.56 37.45 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.713 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 8.6 t -168.75 81.62 0.73 Allowed Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.027 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.79 145.76 98.47 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.484 2.123 . . . . 1.0 112.268 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.51 -43.79 92.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.012 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -174.08 -168.28 34.78 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -61.89 143.94 96.12 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.641 2.227 . . . . 1.0 112.191 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -138.74 -48.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.129 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.77 -41.21 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.455 -0.943 . . . . 1.0 108.455 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.91 -39.83 90.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.109 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.88 -42.97 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.13 -43.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.625 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.89 -44.13 94.39 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.924 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.019 0.438 . . . . 1.0 110.63 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.4 m -58.11 -48.11 81.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.813 -0.631 . . . . 1.0 111.805 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.04 -41.14 91.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.274 -0.57 . . . . 1.0 109.801 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.9 -39.37 91.75 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.763 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.14 -43.5 99.33 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.11 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.585 -0.307 . . . . 1.0 110.961 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.4 -45.98 88.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.69 -0.404 . . . . 1.0 111.536 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.22 -41.56 96.98 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.71 -40.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.041 -0.664 . . . . 1.0 110.578 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.54 -42.56 94.08 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.9 -42.5 97.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 1.0 110.51 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.54 83.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.525 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.53 94.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.828 . . . . 1.0 109.849 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.393 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.22 -39.61 75.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.471 . . . . 1.0 111.321 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.66 -43.08 96.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.242 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -54.76 -46.2 74.31 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.67 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.13 -43.62 98.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.961 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.527 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.4 mm? -64.86 -38.86 92.4 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.268 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.42 -41.15 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.094 0.473 . . . . 1.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.6 m -63.11 -42.16 99.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.412 -0.813 . . . . 1.0 111.045 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.75 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 65.5 m80 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.234 -0.986 . . . . 1.0 109.334 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -99.78 112.66 24.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.257 0.551 . . . . 1.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -83.37 138.87 33.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.57 147.66 27.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.464 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.57 -40.65 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.44 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.121 -0.942 . . . . 1.0 110.653 179.459 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo . . . . . 0 N--CA 1.486 1.088 0 N-CA-C 109.544 -0.983 . . . . 1.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.96 -36.47 80.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.784 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.1 157.78 33.02 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.383 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.26 -23.22 72.48 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.809 2.34 . . . . 1.0 111.671 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.43 140.6 41.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.945 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . 0.479 ' N ' ' CD ' ' A' ' 691' ' ' PRO . . . -107.84 -51.24 0.75 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 690' ' ' GLY . 22.4 Cg_exo -61.45 148.03 93.98 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.662 2.241 . . . . 1.0 111.518 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -65.74 143.6 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.64 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 32.7 pt -58.35 -31.56 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.827 -0.805 . . . . 1.0 108.827 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.66 -41.44 95.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.601 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.82 -42.44 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.637 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.91 -42.58 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.56 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.78 -44.01 94.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.91 -42.68 99.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 1.0 110.527 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 55.8 m -58.03 -46.9 84.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.516 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.71 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.082 0.468 . . . . 1.0 110.176 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.0 mtp -62.6 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.877 -0.602 . . . . 1.0 111.43 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.95 98.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.51 80.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.525 -0.338 . . . . 1.0 111.104 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 32.4 mm -64.44 -44.39 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.37 -42.46 92.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.057 0.391 . . . . 1.0 112.057 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.93 -41.44 95.53 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.47 0.545 . . . . 1.0 112.47 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.81 -40.54 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 120.194 -0.603 . . . . 1.0 111.196 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.28 97.13 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.15 -1.024 . . . . 1.0 110.802 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.47 -44.91 93.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.398 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.22 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.35 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.396 -0.82 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.27 -42.64 98.98 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.61 -38.68 84.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.597 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.96 -45.03 99.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.317 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.62 -45.13 89.89 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.939 -0.763 . . . . 1.0 108.939 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -44.8 86.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.623 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.2 -42.85 99.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.561 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.545 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 90.6 mt -64.04 -43.3 95.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.348 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.65 -41.88 94.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.037 0.446 . . . . 1.0 111.514 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' THR . . . . . 0.446 ' O ' ' OD1' ' A' ' 723' ' ' ASP . 19.7 m -61.06 -43.11 99.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.228 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.7 -39.45 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.832 0.679 . . . . 1.0 112.832 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.545 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.4 m80 -52.88 -44.69 67.05 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.27 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 720' ' ' THR . 32.1 p-10 -101.26 8.13 42.62 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.946 -0.301 . . . . 1.0 111.674 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . 0.424 ' HE ' ' CG2' ' A' ' 720' ' ' THR . 61.6 ttm-85 -130.07 143.11 50.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.873 0.368 . . . . 1.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -133.05 148.77 52.21 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -69.4 -39.79 77.73 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.329 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.696 179.627 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 N--CA 1.483 0.892 0 N-CA-C 109.631 -0.95 . . . . 1.0 109.631 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 56.65 77.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.176 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 78.7 p -172.53 78.72 0.44 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.134 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.37 -37.38 89.01 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.452 2.102 . . . . 1.0 111.131 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.81 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 50.16 -168.4 0.3 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -62.6 145.85 95.3 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.786 2.324 . . . . 1.0 111.905 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.7 146.39 52.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.94 -41.9 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.162 -1.051 . . . . 1.0 108.162 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.6 -40.82 88.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.393 -0.822 . . . . 1.0 110.596 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.47 -43.22 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 1.0 110.688 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 85.1 t -68.77 -42.73 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.87 -42.3 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.67 -41.76 95.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.7 m -58.26 -47.89 82.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.697 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.49 -41.7 93.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 120.053 -0.659 . . . . 1.0 109.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.58 -38.83 91.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.685 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.94 98.54 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.363 -1.095 . . . . 1.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.191 -0.504 . . . . 1.0 110.781 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.02 -44.82 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.72 -44.95 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.722 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.46 -41.48 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.97 0.729 . . . . 1.0 112.97 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -70.77 -39.1 75.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.118 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.33 -44.19 96.74 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.385 -0.526 . . . . 1.0 109.697 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.21 80.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.798 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.63 88.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.861 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.38 -40.88 98.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.118 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.0 mt -66.6 -41.1 88.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.213 0.53 . . . . 1.0 110.826 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.7 mm -63.09 -43.62 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.347 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -58.71 -48.31 81.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.588 -0.893 . . . . 1.0 108.588 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.853 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.57 -42.46 98.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.634 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.451 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.7 mt -64.39 -41.2 96.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.775 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.82 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 1.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 724' ' ' ARG . 87.1 m -62.77 -42.18 99.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.264 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.7 -41.38 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 59.8 m80 -53.19 -46.32 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.494 -0.882 . . . . 1.0 109.8 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -89.5 -85.79 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.175 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 720' ' ' THR . 85.6 mtt85 -75.85 145.01 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.584 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -126.37 141.18 52.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.249 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -107.6 114.0 27.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . 0.43 ' CD2' ' OXT' ' A' ' 727' ' ' PHE . 86.3 t80 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.48 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 N--CA 1.484 0.967 0 N-CA-C 109.706 -0.921 . . . . 1.0 109.706 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.01 134.7 43.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.38 170.97 5.65 Favored Pre-proline 0 C--O 1.232 0.146 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.106 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -51.81 -41.43 62.64 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.038 1.825 . . . . 1.0 111.646 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -95.51 139.38 31.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.71 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . 0.576 ' N ' ' CD ' ' A' ' 691' ' ' PRO . . . 160.26 -43.29 0.43 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.575 -0.822 . . . . 1.0 111.656 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 690' ' ' GLY . 26.2 Cg_exo -59.64 140.69 94.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.565 2.177 . . . . 1.0 112.646 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -120.06 4.65 10.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.153 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 694' ' ' LEU . 19.5 tt -72.72 -42.01 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.667 -0.864 . . . . 1.0 108.667 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' A' ' 693' ' ' ILE . 95.2 mt -64.38 -43.88 93.09 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.346 0.869 . . . . 1.0 113.346 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.68 -40.95 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.715 -0.794 . . . . 1.0 111.274 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.99 -44.62 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 111.904 0.335 . . . . 1.0 111.904 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.28 -46.25 89.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.93 -42.4 94.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.187 -0.205 . . . . 1.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 71.4 m -59.03 -45.76 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.456 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.25 -45.22 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.025 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.2 mtp -60.99 -38.19 85.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.563 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.96 98.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.486 -1.045 . . . . 1.0 110.486 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.302 . . . . 1.0 111.351 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.831 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.6 -41.76 96.0 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.104 0.409 . . . . 1.0 112.104 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.22 -41.37 99.12 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.81 -36.64 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.874 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.1 94.69 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.426 -0.892 . . . . 1.0 111.342 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.72 -42.8 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.32 -0.552 . . . . 1.0 110.326 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.83 95.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.143 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.55 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.583 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.93 -40.49 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 1.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.28 -42.54 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.553 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -56.63 -46.82 80.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -44.68 92.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.197 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.72 -43.07 99.75 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.108 -0.637 . . . . 1.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.525 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 93.0 mt -63.89 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.261 -0.576 . . . . 1.0 110.48 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.16 -41.89 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.95 0.405 . . . . 1.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.1 m -61.83 -41.9 98.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.062 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 27.9 mm -63.94 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.788 0.662 . . . . 1.0 112.788 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 63.2 m80 -53.35 -44.51 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.061 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 724' ' ' ARG . 62.3 t0 -20.52 136.78 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.74 0.645 . . . . 1.0 112.74 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . 0.543 ' N ' ' OD1' ' A' ' 723' ' ' ASP . 99.8 mtt180 -78.54 139.3 38.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.633 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -97.14 149.95 21.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 1.0 111.201 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 52.08 82.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.103 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.558 -179.626 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.483 0.853 0 N-CA-C 108.702 -1.307 . . . . 1.0 108.702 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.88 -39.06 90.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.625 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.48 74.37 0.7 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.784 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.31 143.44 98.02 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.821 2.347 . . . . 1.0 111.47 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.82 -41.54 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.122 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 51.67 59.7 8.25 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 121.142 -0.552 . . . . 1.0 111.954 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.96 142.38 74.91 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.445 2.097 . . . . 1.0 111.41 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -130.13 3.22 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.063 -0.255 . . . . 1.0 110.73 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.86 -42.5 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 178.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.63 -39.8 92.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.713 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.18 -43.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.104 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.72 -46.57 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.55 0.574 . . . . 1.0 112.55 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.13 -43.0 99.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.754 -0.778 . . . . 1.0 110.846 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.69 -44.23 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.663 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.2 m -59.28 -44.25 92.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.269 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.74 -45.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.522 -0.547 . . . . 1.0 109.522 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.72 -39.95 95.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.83 0.347 . . . . 1.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.98 -43.2 99.73 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.375 -1.49 . . . . 1.0 109.375 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.39 76.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.352 -0.424 . . . . 1.0 110.58 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.86 -44.48 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.013 0.435 . . . . 1.0 110.22 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -44.52 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.836 -178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.743 0.646 . . . . 1.0 112.743 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.02 -38.36 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.733 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.3 -42.64 99.19 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.215 -0.993 . . . . 1.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.96 -43.07 99.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.437 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.14 81.3 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.933 -0.707 . . . . 1.0 109.703 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.29 96.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 1.0 110.135 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.76 -43.06 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.325 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.7 -40.01 80.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.588 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.96 -43.53 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.677 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.21 -49.03 79.25 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -39.98 89.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.908 -178.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.37 -43.48 98.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.363 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 718' ' ' LEU . . . . . 0.56 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.9 mt -64.08 -43.8 94.34 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.667 -0.413 . . . . 1.0 111.222 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.93 -41.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -62.12 -41.73 98.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.042 0.449 . . . . 1.0 110.453 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.43 -38.71 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 112.255 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 722' ' ' HIS . . . . . 0.56 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 48.3 m80 -53.18 -41.77 65.57 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.689 -0.804 . . . . 1.0 110.402 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 722' ' ' HIS . 97.2 m-20 -20.96 137.67 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.707 0.63 . . . . 1.0 112.604 -178.621 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -73.45 149.89 42.06 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.319 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -135.03 146.43 48.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.931 0.396 . . . . 1.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 726' ' ' GLU . 57.3 mp0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.837 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 727' ' ' PHE . . . . . 0.505 ' OXT' ' CG ' ' A' ' 727' ' ' PHE . 84.9 t80 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.816 -1.088 . . . . 1.0 109.766 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.849 -0.426 . . . . 1.05 109.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -71.24 -43.5 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.86 -0.422 . . . . 0.23 109.86 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 16.4 mt -61.25 -46.23 91.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 117.936 -1.506 . . . . 1.71 107.85 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.62 -46.13 89.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.786 0.327 . . . . 0.84 110.132 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 39.2 m -60.73 -47.37 86.58 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 119.458 -0.897 . . . . 0.19 109.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.08 -46.53 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 108.538 -0.912 . . . . 0.84 108.538 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.2 mtp -62.05 -37.56 85.41 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.214 -0.595 . . . . 0.31 110.732 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.9 93.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.393 -1.083 . . . . 0.17 110.393 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.37 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.731 -0.734 . . . . 0.17 110.669 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.41 -44.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.552 -0.749 . . . . 1.06 110.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.85 -43.22 93.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.359 -0.536 . . . . 1.67 112.199 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.77 -41.09 96.12 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.126 0.788 . . . . 1.28 113.126 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -71.68 -40.19 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 119.969 -0.692 . . . . 0.75 110.065 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.61 89.26 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 119.098 -1.525 . . . . 0.13 110.602 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.35 -44.23 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.307 -0.557 . . . . 1.79 110.697 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.75 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.842 -0.743 . . . . 0.15 109.708 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.42 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.352 -0.84 . . . . 0.18 110.367 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.518 -0.31 . . . . 1.79 110.989 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.62 -41.89 75.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.452 -0.499 . . . . 1.21 111.491 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.61 -42.8 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 119.946 -0.702 . . . . 1.08 110.103 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.461 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -56.71 -46.9 80.98 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.846 -1.168 . . . . 0.31 107.846 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -61.36 -43.19 99.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.77 111.188 -178.109 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.83 -42.84 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.553 -0.459 . . . . 1.74 111.119 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.38 -38.91 85.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.077 -0.342 . . . . 1.31 110.077 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.461 HD11 ' NE1' ' A' ' 715' ' ' TRP . 80.5 mt -60.82 -40.12 84.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.681 -0.808 . . . . 1.04 110.403 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.1 m -61.56 -41.73 97.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.062 -0.972 . . . . 0.25 109.388 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.01 -40.96 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 113.554 0.946 . . . . 1.36 113.554 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 57.4 m80 . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 107.175 -1.417 . . . . 0.36 107.175 179.297 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.766 0.317 . . . . 1.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.61 -42.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.911 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.881 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.91 -42.8 94.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.552 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 69.9 m -59.65 -45.3 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.226 -0.59 . . . . 1.0 110.503 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.64 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.29 -37.23 86.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.19 -44.18 98.08 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.421 -1.071 . . . . 1.0 110.421 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.78 82.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.735 0.303 . . . . 1.0 110.958 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.3 -43.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.342 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.15 -43.86 93.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.932 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.55 -41.68 92.72 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.005 0.742 . . . . 1.0 113.005 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.6 tt -71.68 -38.91 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.098 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.28 96.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.61 -43.6 98.39 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.11 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.42 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.43 -42.51 99.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 713' ' ' LEU . 89.9 mt -67.05 -39.83 86.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.479 -0.328 . . . . 1.0 111.581 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.58 -43.74 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.514 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.747 ' NE1' HD11 ' A' ' 719' ' ' ILE . 11.2 t90 -57.55 -47.12 82.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.74 -43.44 94.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.555 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.81 -41.85 98.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.445 -0.502 . . . . 1.0 109.991 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.582 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.5 mt -62.7 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.747 HD11 ' NE1' ' A' ' 715' ' ' TRP . 92.4 mt -63.49 -42.24 95.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 12.6 m -63.14 -42.19 99.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 42.0 pt -68.89 -26.51 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.371 -0.532 . . . . 1.0 112.4 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.582 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 51.7 m80 . . . . . 0 N--CA 1.467 0.412 0 C-N-CA 119.539 -0.864 . . . . 1.0 110.153 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 120.6 0.238 . . . . 1.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.24 -45.08 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 111.954 0.353 . . . . 1.0 111.954 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.08 -44.43 96.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.856 -0.738 . . . . 1.0 109.966 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.19 -41.59 97.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.505 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.8 m -58.61 -46.27 87.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -45.61 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.15 -40.68 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.078 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.25 -43.62 95.39 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.332 -1.107 . . . . 1.0 110.332 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.36 78.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.901 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.6 -43.87 98.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.268 -0.573 . . . . 1.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.34 -42.56 98.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.886 -0.726 . . . . 1.0 111.083 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.19 -41.8 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 707' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 708' ' ' GLY . 14.5 tt -70.66 -41.48 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 119.917 -0.713 . . . . 1.0 109.901 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 707' ' ' ILE . . . -58.69 -43.41 96.33 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.37 -1.092 . . . . 1.0 110.37 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.52 -44.42 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.858 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.87 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.085 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.19 96.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.667 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.91 -43.69 98.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.617 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 713' ' ' LEU . 9.9 mp -68.73 -41.3 79.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 1.0 111.257 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.9 -44.61 99.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.905 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -61.39 -47.55 85.3 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.018 -0.734 . . . . 1.0 109.018 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.15 -42.65 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.607 0.242 . . . . 1.0 111.331 -178.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.74 -42.3 99.6 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.33 -0.548 . . . . 1.0 111.098 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.688 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.2 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.0 0.428 . . . . 1.0 111.481 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 22.9 m -60.72 -41.96 96.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.593 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.18 -40.33 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.642 0.608 . . . . 1.0 112.642 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 49.4 m80 . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 119.53 -0.868 . . . . 1.0 109.779 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.786 0.327 . . . . 1.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.4 -44.31 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.48 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.41 -43.76 98.06 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.59 -44.08 95.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.919 0.39 . . . . 1.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.7 m -59.2 -44.98 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.179 -0.609 . . . . 1.0 110.256 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.76 -45.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.49 -39.56 93.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.195 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.61 98.7 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.07 87.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.63 0.252 . . . . 1.0 111.074 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.07 -44.02 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.219 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.72 -43.22 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.159 0.429 . . . . 1.0 112.159 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.91 -41.42 97.68 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.13 -36.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.036 -0.666 . . . . 1.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.84 89.92 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.213 -0.994 . . . . 1.0 111.102 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.2 -42.81 96.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.343 -0.543 . . . . 1.0 110.882 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.67 86.17 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.237 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.67 95.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.57 -42.68 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.443 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.41 -40.89 89.87 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.253 0.549 . . . . 1.0 111.034 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.71 -43.83 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.74 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.663 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.95 91.43 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.14 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.26 -41.81 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.657 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 718' ' ' LEU . 92.9 mt -64.92 -40.4 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.765 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.663 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.94 -41.37 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 1.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -61.92 -41.52 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.003 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -41.14 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 113.104 0.779 . . . . 1.0 113.104 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 63.5 m80 . . . . . 0 C--N 1.329 -0.289 0 C-N-CA 119.824 -0.751 . . . . 1.0 110.116 -179.851 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.98 -42.45 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.36 -44.99 92.63 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.985 -0.686 . . . . 1.0 109.449 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 698' ' ' LEU . 82.2 mt -63.34 -42.79 98.96 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.606 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 50.0 m -59.57 -44.77 93.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.488 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.65 -44.42 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.993 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.98 -37.95 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.38 99.28 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.0 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.938 -0.305 . . . . 1.0 110.949 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.13 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.915 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.99 -44.6 92.18 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.55 -41.37 96.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.2 tt -71.14 -40.2 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.552 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.25 97.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.601 -1.0 . . . . 1.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.81 -43.66 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.88 -42.1 88.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.518 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.18 96.54 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.449 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.22 -42.16 99.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.723 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.07 -39.94 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 1.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.79 -44.23 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.692 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.12 -48.24 82.32 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -43.84 88.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.137 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.93 -43.38 98.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.084 -0.246 . . . . 1.0 111.344 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 1.0 110.695 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.692 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -63.37 -42.25 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.042 0.448 . . . . 1.0 111.313 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 75.8 m -62.17 -41.94 98.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.301 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.23 -42.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 C--N 1.33 -0.266 0 C-N-CA 119.416 -0.914 . . . . 1.0 109.517 179.569 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.678 0.275 . . . . 1.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 81.8 t -68.64 -44.16 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.723 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.1 -42.72 99.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.669 -0.812 . . . . 1.0 109.535 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.8 mt -64.2 -42.03 96.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.34 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 56.5 m -59.88 -45.9 91.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.505 -0.478 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 -44.48 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.59 -37.71 84.89 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -44.11 98.58 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.03 78.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.355 . . . . 1.0 110.61 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.25 -43.86 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.698 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.6 -46.2 89.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.153 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.54 -41.01 93.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.639 0.977 . . . . 1.0 113.639 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.42 -40.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.554 -0.858 . . . . 1.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.36 98.17 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.4 -43.89 97.74 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.173 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.83 75.88 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 1.0 110.137 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.95 -43.03 99.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.36 -40.05 74.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.596 0.591 . . . . 1.0 112.596 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 119.59 -0.844 . . . . 1.0 109.93 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -46.03 90.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.537 -0.912 . . . . 1.0 108.537 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -43.43 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.853 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.72 -44.46 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.97 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.93 -38.66 91.7 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.274 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.732 HD11 ' NE1' ' A' ' 715' ' ' TRP . 81.9 mt -62.69 -41.81 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.044 0.45 . . . . 1.0 111.174 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 10.7 m -62.74 -41.85 99.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.893 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.99 -41.81 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.159 0.799 . . . . 1.0 113.159 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 67.5 m80 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 119.059 -1.057 . . . . 1.0 109.735 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.92 0.39 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 696' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 700' ' ' VAL . 76.7 t -67.09 -42.81 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.408 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.98 -43.56 98.63 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.387 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.66 -43.82 95.6 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.835 0.35 . . . . 1.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.5 m -58.89 -43.71 91.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.679 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 700' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 696' ' ' VAL . 92.2 t -63.09 -47.15 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.0 mtp -62.05 -39.32 91.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.825 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -43.33 99.56 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 109.845 -1.302 . . . . 1.0 109.845 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.25 87.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.301 -0.45 . . . . 1.0 111.459 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.53 -43.84 98.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.293 -0.563 . . . . 1.0 110.631 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.0 -42.0 97.31 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.739 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -42.37 97.23 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.87 0.693 . . . . 1.0 112.87 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 16.4 tt -71.52 -38.43 67.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.565 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.13 97.0 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.655 -0.978 . . . . 1.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.99 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.011 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.3 71.63 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.235 -0.586 . . . . 1.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.09 -42.46 99.24 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.445 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.35 -40.52 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 1.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.435 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.687 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -60.93 -47.51 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.47 -43.76 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.741 -178.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.78 -42.68 99.3 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.65 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.449 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 96.3 mt -64.91 -41.87 95.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.703 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.687 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.83 -42.16 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.378 . . . . 1.0 111.671 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 79.5 m -62.84 -41.12 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.9 -40.8 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.662 0.616 . . . . 1.0 112.662 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 62.8 m80 . . . . . 0 C--N 1.329 -0.308 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.297 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.796 0.331 . . . . 1.0 110.62 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.75 -44.36 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.176 0.435 . . . . 1.0 112.176 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 697' ' ' LEU . 84.1 mt -61.93 -43.38 98.95 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 119.579 -0.848 . . . . 1.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.84 -41.52 97.8 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.431 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 47.4 m -58.63 -45.33 89.47 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.105 -0.638 . . . . 1.0 110.091 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.76 -45.75 94.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.7 mtp -61.35 -39.04 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.061 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.16 -44.93 97.04 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.66 85.84 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.614 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.02 -44.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.75 -43.68 98.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.429 -0.508 . . . . 1.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.94 -42.06 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.031 0.752 . . . . 1.0 113.031 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 1.6 tp -70.93 -38.06 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.144 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.59 -44.46 97.92 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.221 -1.152 . . . . 1.0 110.221 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.37 -42.51 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.371 -0.532 . . . . 1.0 109.62 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.52 85.1 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.68 96.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.691 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.18 -41.73 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.214 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.41 -40.31 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 1.0 111.201 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.05 -43.72 97.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.749 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.424 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -56.57 -45.86 81.06 Favored 'General case' 0 C--N 1.335 -0.043 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.52 -43.73 93.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.865 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.58 -42.32 98.68 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.133 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.483 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.4 mt -63.54 -42.18 98.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.424 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.7 mt -62.08 -42.28 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 1.0 111.455 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -40.41 97.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.257 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.51 -38.55 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.4 m80 . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.707 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.636 0.255 . . . . 1.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.14 -43.4 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.13 0.418 . . . . 1.0 112.13 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -42.97 99.84 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.907 -0.717 . . . . 1.0 110.383 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -42.42 90.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.851 0.357 . . . . 1.0 111.077 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -57.42 -48.69 78.45 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 1.2 p -65.75 -40.09 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.187 -0.605 . . . . 1.0 109.955 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.14 -39.2 93.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.207 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.22 98.84 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.26 79.34 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.437 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.67 -44.14 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.97 -41.26 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.37 0.507 . . . . 1.0 112.37 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.6 -41.39 92.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.74 -39.18 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.989 -0.684 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.79 -44.29 94.28 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.236 -1.146 . . . . 1.0 110.236 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.18 -43.78 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.461 -0.496 . . . . 1.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.57 -37.78 79.39 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.974 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.2 97.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.181 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.06 -42.12 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.823 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.12 -39.82 78.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.896 0.379 . . . . 1.0 110.588 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.09 -43.55 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 1.0 109.684 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.754 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -58.16 -47.49 83.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.106 -0.702 . . . . 1.0 109.106 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.09 -44.04 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.474 -178.173 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.31 -43.4 98.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.707 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.427 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.2 mm? -64.95 -39.6 93.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.439 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.754 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.2 mt -63.02 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.615 -0.434 . . . . 1.0 111.016 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.5 m -61.93 -41.03 97.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.744 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.31 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.648 0.61 . . . . 1.0 112.648 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 64.5 m80 . . . . . 0 CA--C 1.52 -0.189 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.566 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 121.046 0.45 . . . . 1.0 110.053 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.06 -44.69 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 1.0 111.654 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.52 -42.97 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.179 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.62 -44.03 97.3 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.905 0.383 . . . . 1.0 110.332 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -59.12 -47.18 86.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.322 -0.551 . . . . 1.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.11 -44.45 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.3 mtp -62.92 -38.53 91.37 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.675 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.16 99.24 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.335 -0.936 . . . . 1.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.32 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.69 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.31 -44.56 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.69 -42.34 98.01 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.556 -0.458 . . . . 1.0 111.783 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.33 -42.13 98.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.44 -38.83 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.526 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.39 98.21 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.142 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 709' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 709' ' ' LEU . 92.5 mt -63.03 -43.65 98.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.63 85.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.08 97.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.2 -40.75 98.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.92 -39.82 79.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.139 0.495 . . . . 1.0 111.505 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.15 -43.15 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.484 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.58 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.34 -48.34 82.0 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -44.0 94.17 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.582 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.975 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.93 -40.91 97.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 1.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.58 HD11 ' NE1' ' A' ' 715' ' ' TRP . 82.8 mt -62.21 -41.64 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.4 m -61.92 -40.09 94.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.223 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.66 -40.39 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 112.134 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.1 m80 . . . . . 0 C--N 1.33 -0.254 0 C-N-CA 119.752 -0.779 . . . . 1.0 109.608 179.769 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 1.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.41 -43.79 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.501 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.18 -43.1 99.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.037 -0.665 . . . . 1.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.89 -43.07 97.13 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.471 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 58.6 m -58.82 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.239 -0.584 . . . . 1.0 109.916 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.74 -46.28 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.5 mtp -62.13 -37.98 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.88 -43.27 99.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.852 -1.299 . . . . 1.0 109.852 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.621 -0.289 . . . . 1.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.36 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.137 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.72 -43.94 95.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.821 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.44 -42.0 98.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.11 -38.59 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.442 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.5 -43.15 96.13 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.517 -1.033 . . . . 1.0 110.517 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.58 -43.91 97.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.179 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.33 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.175 -0.61 . . . . 1.0 110.098 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.82 94.32 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.54 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.81 -43.19 99.46 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.75 0.309 . . . . 1.0 111.298 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.62 -39.64 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.168 0.508 . . . . 1.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.81 -42.86 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 1.0 109.623 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.32 -45.89 87.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.808 -0.812 . . . . 1.0 108.808 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.22 -43.07 92.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.607 -179.403 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.53 -43.85 95.95 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.829 -0.348 . . . . 1.0 111.71 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.9 mp -63.99 -41.41 97.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.482 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.45 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 112.586 0.587 . . . . 1.0 112.586 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.6 m -62.12 -40.31 95.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.71 0.633 . . . . 1.0 112.71 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 29.9 pt -68.13 -22.41 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.897 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 . . . . . 0 N--CA 1.465 0.289 0 C-N-CA 119.943 -0.703 . . . . 1.0 109.761 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 65.9 t . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.209 0.528 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.47 -44.63 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.441 -0.799 . . . . 1.0 112.219 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.98 -43.45 98.82 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.953 -0.699 . . . . 1.0 109.515 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.46 -42.52 98.61 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.5 m -58.69 -45.75 88.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.566 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.12 -44.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.541 -0.463 . . . . 1.0 109.923 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.33 -37.25 84.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.93 96.85 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.571 -1.012 . . . . 1.0 110.571 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.49 82.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 1.0 111.307 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.32 -43.87 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.449 -0.501 . . . . 1.0 110.307 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.031 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.8 -41.65 95.63 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.232 0.456 . . . . 1.0 112.232 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.23 -39.8 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 120.083 -0.647 . . . . 1.0 110.602 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.94 -43.41 96.82 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.252 -0.975 . . . . 1.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.95 -44.25 96.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 1.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.81 85.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.764 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.15 96.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.44 -44.42 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.055 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 717' ' ' LEU . 11.1 mp -69.44 -38.02 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.904 -0.718 . . . . 1.0 110.523 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.022 -0.671 . . . . 1.0 109.808 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.468 ' NE1' HD11 ' A' ' 719' ' ' ILE . 9.6 t90 -55.86 -45.66 78.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.414 -0.958 . . . . 1.0 108.414 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -57.9 -44.15 86.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.317 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 717' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 713' ' ' LEU . 9.0 mp -62.68 -42.64 99.74 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.484 -0.486 . . . . 1.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.82 -40.48 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.332 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.468 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -62.33 -42.34 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.61 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 23.0 m -61.99 -40.86 97.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.83 -42.08 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.635 0.976 . . . . 1.0 113.635 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.2 m80 . . . . . 0 C--N 1.325 -0.458 0 C-N-CA 119.772 -0.771 . . . . 1.0 109.505 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 82.5 t -68.35 -43.0 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 111.781 0.289 . . . . 1.0 111.781 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.38 -44.13 97.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.068 -0.653 . . . . 1.0 110.691 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.74 -42.59 97.83 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.034 0.445 . . . . 1.0 111.052 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.9 m -58.09 -46.79 84.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.017 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.84 -46.72 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.455 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.55 -36.97 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.654 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.95 98.17 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.65 -38.13 74.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.083 0.468 . . . . 1.0 110.269 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 3.8 mm -64.15 -43.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 705' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 705' ' ' LEU . 95.9 mt -63.06 -45.49 91.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.521 -0.471 . . . . 1.0 111.429 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.22 -41.68 96.91 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.466 0.913 . . . . 1.0 113.466 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.7 tt -70.06 -40.1 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.206 -0.598 . . . . 1.0 110.515 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.57 99.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.305 -0.95 . . . . 1.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.67 -42.43 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.212 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.24 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.841 -0.743 . . . . 1.0 110.338 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.16 97.07 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.28 -42.67 99.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.355 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.03 -39.11 83.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 1.0 111.114 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.87 -43.73 99.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.042 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.723 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -55.84 -46.35 78.19 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.83 -42.36 93.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.136 -179.17 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.97 -44.93 95.71 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.955 0.354 . . . . 1.0 111.955 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.71 -40.09 94.77 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.751 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.723 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.0 mt -62.4 -42.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.91 0.386 . . . . 1.0 111.682 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -62.54 -40.34 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.571 . . . . 1.0 111.63 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.58 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.0 m80 . . . . . 0 N--CA 1.465 0.306 0 C-N-CA 119.893 -0.723 . . . . 1.0 110.709 -179.26 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 56.2 t . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 1.0 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.29 -43.82 87.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.302 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.51 -44.28 96.19 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.702 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -44.01 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.982 0.42 . . . . 1.0 110.709 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.4 m -58.13 -45.61 87.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.618 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.64 -46.64 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 82.0 mtp -61.42 -38.52 87.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.433 -0.803 . . . . 1.0 111.727 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.53 96.59 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.64 75.6 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.465 0.542 . . . . 1.0 112.465 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.27 -42.78 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.561 -0.856 . . . . 1.0 110.633 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.85 -43.3 96.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.292 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.05 -41.6 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.39 -36.58 55.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 119.859 -0.736 . . . . 1.0 110.409 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.66 -43.0 94.55 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.33 -43.98 97.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 1.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.16 -36.63 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.69 94.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.667 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -42.16 99.3 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.669 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.25 -38.96 82.34 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.731 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.243 -0.583 . . . . 1.0 109.655 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -57.95 -47.59 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.14 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.008 -179.075 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.39 -44.38 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.003 -0.279 . . . . 1.0 111.3 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.34 -40.91 96.81 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.453 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.22 -42.17 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.878 -0.329 . . . . 1.0 111.723 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 73.3 m -62.64 -41.9 99.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 1.0 110.911 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.18 -40.97 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 1.0 112.45 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.7 m80 . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 119.24 -0.984 . . . . 1.0 108.994 179.542 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.2 -42.94 88.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.283 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.11 -44.43 96.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.4 mt -64.6 -42.03 95.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.96 0.409 . . . . 1.0 110.931 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 66.3 m -58.11 -46.23 85.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.859 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.34 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.32 -45.79 95.74 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.25 -1.14 . . . . 1.0 110.25 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.11 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.91 -43.57 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.591 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.97 -43.7 94.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.25 -40.23 93.73 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.496 0.554 . . . . 1.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 5.0 tt -70.79 -39.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.915 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.65 -44.2 97.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.594 -1.002 . . . . 1.0 110.594 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 709' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 709' ' ' LEU . 85.6 mt -62.76 -42.77 99.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.172 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.92 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.95 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.336 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 712' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 712' ' ' LEU . 96.9 mt -63.87 -40.72 97.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.007 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -41.09 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 1.0 111.649 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.91 -42.9 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.192 -0.603 . . . . 1.0 109.966 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.631 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.1 t90 -54.49 -45.39 73.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.625 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -58.68 -43.23 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.823 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.646 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 718' ' ' LEU . 11.0 mp -66.69 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.071 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.631 HD11 ' NE1' ' A' ' 715' ' ' TRP . 97.5 mt -61.69 -41.52 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 C-N-CA 120.114 -0.635 . . . . 1.0 110.283 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.7 m -63.95 -42.87 97.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.797 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 721' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 718' ' ' LEU . 3.5 tt -66.32 -32.16 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.361 0.504 . . . . 1.0 112.361 -177.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 119.6 -0.84 . . . . 1.0 109.464 179.143 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 695' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 696' ' ' VAL . 1.4 m . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.681 0.277 . . . . 1.0 110.681 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 696' ' ' VAL . . . . . 0.431 ' N ' ' CG2' ' A' ' 695' ' ' VAL . 74.8 t -67.91 -43.05 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.284 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.13 -44.05 97.93 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.944 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -42.85 95.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 74.7 m -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.0 -0.68 . . . . 1.0 110.393 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.71 -46.18 95.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.617 -0.433 . . . . 1.0 109.969 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -61.53 -39.11 89.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.081 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.39 99.3 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.729 -0.948 . . . . 1.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.9 90.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.441 -0.379 . . . . 1.0 111.803 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -43.86 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.695 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.56 -42.9 95.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.324 0.49 . . . . 1.0 112.324 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.54 -42.04 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.862 0.69 . . . . 1.0 112.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.0 tt -71.8 -38.65 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.549 -0.461 . . . . 1.0 111.01 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.64 -42.82 91.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.846 -1.302 . . . . 1.0 109.846 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.85 -43.56 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.58 90.35 Favored 'General case' 0 N--CA 1.461 0.085 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.444 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.16 -42.2 99.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.374 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.5 mt -68.09 -40.1 82.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.252 0.549 . . . . 1.0 110.585 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.28 -43.88 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.122 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.585 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -58.02 -47.05 84.23 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.748 -0.834 . . . . 1.0 108.748 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -60.72 -42.84 98.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.041 -178.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 717' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 717' ' ' LEU . 55.1 mt -61.72 -43.1 99.5 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.32 -41.54 98.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.757 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.585 HD11 ' NE1' ' A' ' 715' ' ' TRP . 91.8 mt -63.22 -41.55 93.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.3 m -62.94 -42.22 99.74 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.193 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.91 -42.06 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.754 0.65 . . . . 1.0 112.754 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 55.2 m80 . . . . . 0 C--N 1.326 -0.419 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.224 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.13 -43.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.625 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.89 -44.13 94.39 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.924 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.019 0.438 . . . . 1.0 110.63 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.4 m -58.11 -48.11 81.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.813 -0.631 . . . . 1.0 111.805 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.04 -41.14 91.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.274 -0.57 . . . . 1.0 109.801 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.9 -39.37 91.75 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.763 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.14 -43.5 99.33 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.11 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.585 -0.307 . . . . 1.0 110.961 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.4 -45.98 88.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.69 -0.404 . . . . 1.0 111.536 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.22 -41.56 96.98 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.71 -40.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.041 -0.664 . . . . 1.0 110.578 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.54 -42.56 94.08 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 709' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 709' ' ' LEU . 39.3 mt -63.9 -42.5 97.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 1.0 110.51 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.54 83.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.525 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.53 94.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.828 . . . . 1.0 109.849 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.393 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.22 -39.61 75.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.471 . . . . 1.0 111.321 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.66 -43.08 96.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.242 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.589 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -54.76 -46.2 74.31 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.67 -178.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.13 -43.62 98.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.961 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.86 -38.86 92.4 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.268 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.589 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.4 mt -62.42 -41.15 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.094 0.473 . . . . 1.0 110.648 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.6 m -63.11 -42.16 99.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.412 -0.813 . . . . 1.0 111.045 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.75 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 . . . . . 0 C--N 1.325 -0.47 0 C-N-CA 119.234 -0.986 . . . . 1.0 109.334 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.91 -42.58 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.56 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.78 -44.01 94.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.91 -42.68 99.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 1.0 110.527 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 55.8 m -58.03 -46.9 84.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.516 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.71 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.082 0.468 . . . . 1.0 110.176 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.0 mtp -62.6 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.877 -0.602 . . . . 1.0 111.43 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.95 98.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.51 80.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.525 -0.338 . . . . 1.0 111.104 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 32.4 mm -64.44 -44.39 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.37 -42.46 92.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.057 0.391 . . . . 1.0 112.057 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.93 -41.44 95.53 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.47 0.545 . . . . 1.0 112.47 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.81 -40.54 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 120.194 -0.603 . . . . 1.0 111.196 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.28 97.13 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.15 -1.024 . . . . 1.0 110.802 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.47 -44.91 93.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.398 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.22 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.35 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.396 -0.82 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.27 -42.64 98.98 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 713' ' ' LEU . 4.2 mm? -67.61 -38.68 84.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.597 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.96 -45.03 99.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.317 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.422 ' NE1' HD11 ' A' ' 719' ' ' ILE . 8.8 t90 -58.62 -45.13 89.89 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.939 -0.763 . . . . 1.0 108.939 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -44.8 86.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.623 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.2 -42.85 99.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.561 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.475 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 90.6 mt -64.04 -43.3 95.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.348 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.422 HD11 ' NE1' ' A' ' 715' ' ' TRP . 79.3 mt -63.65 -41.88 94.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.037 0.446 . . . . 1.0 111.514 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -61.06 -43.11 99.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.7 -39.45 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.832 0.679 . . . . 1.0 112.832 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.4 m80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.27 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.925 0.393 . . . . 1.0 110.688 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 85.1 t -68.77 -42.73 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.87 -42.3 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.67 -41.76 95.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.7 m -58.26 -47.89 82.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.697 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.49 -41.7 93.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 120.053 -0.659 . . . . 1.0 109.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.58 -38.83 91.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.685 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.94 98.54 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.363 -1.095 . . . . 1.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.191 -0.504 . . . . 1.0 110.781 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.02 -44.82 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.72 -44.95 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.722 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.46 -41.48 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.97 0.729 . . . . 1.0 112.97 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -70.77 -39.1 75.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.118 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 708' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 712' ' ' LEU . . . -59.33 -44.19 96.74 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.385 -0.526 . . . . 1.0 109.697 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.21 80.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.798 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.63 88.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.861 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 712' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 708' ' ' GLY . 9.5 mp -63.38 -40.88 98.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.118 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.0 mt -66.6 -41.1 88.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.213 0.53 . . . . 1.0 110.826 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.7 mm -63.09 -43.62 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.347 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -58.71 -48.31 81.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.588 -0.893 . . . . 1.0 108.588 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.853 -179.385 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.57 -42.46 98.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.634 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.39 -41.2 96.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.775 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.82 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 1.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 87.1 m -62.77 -42.18 99.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.264 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.7 -41.38 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 C--N 1.326 -0.451 0 C-N-CA 119.494 -0.882 . . . . 1.0 109.8 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 695' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 696' ' ' VAL . 11.9 p . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.436 0.16 . . . . 1.0 111.274 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 696' ' ' VAL . . . . . 0.404 ' N ' HG13 ' A' ' 695' ' ' VAL . 80.4 t -67.99 -44.62 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 111.904 0.335 . . . . 1.0 111.904 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.28 -46.25 89.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.93 -42.4 94.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.187 -0.205 . . . . 1.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 71.4 m -59.03 -45.76 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.456 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.25 -45.22 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.025 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.2 mtp -60.99 -38.19 85.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.563 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.96 98.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.486 -1.045 . . . . 1.0 110.486 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.302 . . . . 1.0 111.351 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.831 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.6 -41.76 96.0 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.104 0.409 . . . . 1.0 112.104 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.22 -41.37 99.12 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.81 -36.64 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.874 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.1 94.69 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.426 -0.892 . . . . 1.0 111.342 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.72 -42.8 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.32 -0.552 . . . . 1.0 110.326 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.83 95.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.143 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.55 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.583 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.93 -40.49 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 1.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.28 -42.54 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.553 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 715' ' ' TRP . . . . . 0.69 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.2 t90 -56.63 -46.82 80.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.21 -44.68 92.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.197 -178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.72 -43.07 99.75 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.108 -0.637 . . . . 1.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.404 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 93.0 mt -63.89 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.261 -0.576 . . . . 1.0 110.48 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 719' ' ' ILE . . . . . 0.69 HD11 ' NE1' ' A' ' 715' ' ' TRP . 94.5 mt -62.16 -41.89 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.95 0.405 . . . . 1.0 111.395 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.1 m -61.83 -41.9 98.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.062 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 27.9 mm -63.94 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.788 0.662 . . . . 1.0 112.788 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 63.2 m80 . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.061 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.459 0.016 0 CA-C-O 120.534 0.206 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.72 -46.57 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.55 0.574 . . . . 1.0 112.55 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.13 -43.0 99.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.754 -0.778 . . . . 1.0 110.846 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.69 -44.23 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.663 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.2 m -59.28 -44.25 92.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.269 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.74 -45.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.522 -0.547 . . . . 1.0 109.522 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.72 -39.95 95.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.83 0.347 . . . . 1.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.98 -43.2 99.73 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.375 -1.49 . . . . 1.0 109.375 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.39 76.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.352 -0.424 . . . . 1.0 110.58 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.86 -44.48 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.013 0.435 . . . . 1.0 110.22 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -44.52 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.836 -178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.743 0.646 . . . . 1.0 112.743 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.02 -38.36 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.733 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.3 -42.64 99.19 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.215 -0.993 . . . . 1.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.96 -43.07 99.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.437 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.14 81.3 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.933 -0.707 . . . . 1.0 109.703 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.29 96.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 1.0 110.135 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.76 -43.06 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.325 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.7 -40.01 80.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.588 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.96 -43.53 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.677 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.21 -49.03 79.25 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -60.49 -39.98 89.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.908 -178.575 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.37 -43.48 98.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.363 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 718' ' ' LEU . . . . . 0.503 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.9 mt -64.08 -43.8 94.34 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.667 -0.413 . . . . 1.0 111.222 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.93 -41.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -62.12 -41.73 98.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.042 0.449 . . . . 1.0 110.453 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.43 -38.71 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 112.255 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 722' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 48.3 m80 . . . . . 0 N--CA 1.465 0.293 0 C-N-CA 119.689 -0.804 . . . . 1.0 110.402 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.834 ' C ' ' H ' ' A' ' 687' ' ' SER . 5.7 Cg_endo . . . . . 0 N--CA 1.492 1.412 0 N-CA-C 108.505 -1.383 . . . . 13.37 108.505 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 685' ' ' PRO . 74.0 mt-10 71.01 -26.65 0.17 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 123.244 1.497 . . . . 13.15 107.152 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.834 ' H ' ' C ' ' A' ' 685' ' ' PRO . 1.2 p -121.76 64.32 16.8 Favored Pre-proline 0 N--CA 1.405 -2.694 0 N-CA-C 101.161 -3.644 . . . . 9.68 101.161 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 688' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 690' ' ' GLY . 7.4 Cg_endo -50.07 -18.86 3.51 Favored 'Trans proline' 0 CA--C 1.49 -1.709 0 N-CA-C 104.286 -3.005 . . . . 9.19 104.286 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 689' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 691' ' ' PRO . 0.2 OUTLIER 43.55 -100.81 0.04 OUTLIER 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 111.134 -2.757 . . . . 9.61 105.289 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 690' ' ' GLY . . . . . 0.731 ' H ' ' HZ1' ' A' ' 689' ' ' LYS . . . -2.68 63.46 0.0 OUTLIER Glycine 0 C--N 1.362 2.023 0 N-CA-C 107.719 -2.153 . . . . 5.17 107.719 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 691' ' ' PRO . . . . . 0.833 ' N ' ' O ' ' A' ' 689' ' ' LYS . 1.0 OUTLIER -80.43 -66.16 0.02 OUTLIER 'Trans proline' 1 CA--C 1.443 -4.074 1 N-CA-C 100.328 -4.528 . . . . 5.3 100.328 -174.796 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 692' ' ' ASP . . . . . 0.538 ' H ' ' CD ' ' A' ' 691' ' ' PRO . 97.2 m-20 54.6 23.12 4.43 Favored 'General case' 0 N--CA 1.386 -3.64 0 CA-C-N 109.362 -3.563 . . . . 2.75 108.392 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.522 HG22 HD12 ' A' ' 697' ' ' LEU . 56.5 mt -68.27 -49.92 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.036 1 N-CA-C 99.169 -4.382 . . . . 1.49 99.169 172.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.02 -47.9 83.54 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 113.48 -1.691 . . . . 1.37 109.998 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.55 -43.49 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.335 0.971 . . . . 1.05 109.849 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 696' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 692' ' ' ASP . 72.5 t -71.24 -43.5 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.86 -0.422 . . . . 0.23 109.86 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.522 HD12 HG22 ' A' ' 693' ' ' ILE . 16.4 mt -61.25 -46.23 91.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 117.936 -1.506 . . . . 1.71 107.85 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.62 -46.13 89.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.786 0.327 . . . . 0.84 110.132 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 39.2 m -60.73 -47.37 86.58 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 119.458 -0.897 . . . . 0.19 109.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.08 -46.53 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 108.538 -0.912 . . . . 0.84 108.538 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.2 mtp -62.05 -37.56 85.41 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.214 -0.595 . . . . 0.31 110.732 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.9 93.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.393 -1.083 . . . . 0.17 110.393 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.37 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.731 -0.734 . . . . 0.17 110.669 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.41 -44.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.552 -0.749 . . . . 1.06 110.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.85 -43.22 93.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.359 -0.536 . . . . 1.67 112.199 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.77 -41.09 96.12 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.126 0.788 . . . . 1.28 113.126 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -71.68 -40.19 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 119.969 -0.692 . . . . 0.75 110.065 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.61 89.26 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 119.098 -1.525 . . . . 0.13 110.602 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.35 -44.23 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.307 -0.557 . . . . 1.79 110.697 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.75 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.842 -0.743 . . . . 0.15 109.708 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.42 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.352 -0.84 . . . . 0.18 110.367 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.518 -0.31 . . . . 1.79 110.989 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.62 -41.89 75.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.452 -0.499 . . . . 1.21 111.491 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.61 -42.8 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 119.946 -0.702 . . . . 1.08 110.103 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.461 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -56.71 -46.9 80.98 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.846 -1.168 . . . . 0.31 107.846 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -61.36 -43.19 99.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.77 111.188 -178.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.83 -42.84 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.553 -0.459 . . . . 1.74 111.119 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.38 -38.91 85.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.077 -0.342 . . . . 1.31 110.077 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.461 HD11 ' NE1' ' A' ' 715' ' ' TRP . 80.5 mt -60.82 -40.12 84.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.681 -0.808 . . . . 1.04 110.403 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.1 m -61.56 -41.73 97.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.062 -0.972 . . . . 0.25 109.388 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.01 -40.96 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 113.554 0.946 . . . . 1.36 113.554 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -58.52 -57.79 11.4 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 107.175 -1.417 . . . . 0.36 107.175 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.498 ' O ' ' O ' ' A' ' 724' ' ' ARG . 29.5 t70 -86.82 83.29 7.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.312 -0.996 . . . . 2.33 108.312 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 724' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 725' ' ' LYS . 50.5 mtm180 -62.0 -116.75 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 107.309 -1.367 . . . . 6.58 107.309 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 724' ' ' ARG . 0.0 OUTLIER 98.9 -14.11 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.761 0.663 . . . . 7.52 111.365 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.28 79.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.778 -0.452 . . . . 8.45 109.778 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 725' ' ' LYS . 46.0 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.308 -0.853 . . . . 10.68 111.011 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.482 0.803 0 N-CA-C 109.566 -0.975 . . . . 1.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -122.09 128.53 51.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.613 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.5 p -178.48 74.43 0.21 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.639 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -55.52 -37.36 95.09 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.594 2.196 . . . . 1.0 111.85 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.5 -40.23 96.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.476 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 48.26 71.67 0.55 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' PRO . . . . . 0.445 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 17.6 Cg_exo -63.18 143.47 89.96 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.092 2.528 . . . . 1.0 112.295 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 97.6 m-20 -139.75 -54.36 0.55 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.23 -42.72 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.28 -39.98 88.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.76 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.86 -43.45 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.281 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.61 -42.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.911 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.881 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.91 -42.8 94.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.552 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 69.9 m -59.65 -45.3 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.226 -0.59 . . . . 1.0 110.503 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.64 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.29 -37.23 86.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.19 -44.18 98.08 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.421 -1.071 . . . . 1.0 110.421 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.78 82.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.735 0.303 . . . . 1.0 110.958 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.3 -43.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.342 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.15 -43.86 93.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.932 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.55 -41.68 92.72 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.005 0.742 . . . . 1.0 113.005 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.6 tt -71.68 -38.91 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.098 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.28 96.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.61 -43.6 98.39 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.11 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.42 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.43 -42.51 99.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 713' ' ' LEU . 89.9 mt -67.05 -39.83 86.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.479 -0.328 . . . . 1.0 111.581 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.58 -43.74 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.514 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.747 ' NE1' HD11 ' A' ' 719' ' ' ILE . 11.2 t90 -57.55 -47.12 82.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.74 -43.44 94.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.555 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.81 -41.85 98.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.445 -0.502 . . . . 1.0 109.991 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.582 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.5 mt -62.7 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.747 HD11 ' NE1' ' A' ' 715' ' ' TRP . 92.4 mt -63.49 -42.24 95.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 12.6 m -63.14 -42.19 99.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 42.0 pt -68.89 -26.51 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.371 -0.532 . . . . 1.0 112.4 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.582 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 51.7 m80 -56.49 -46.04 80.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.539 -0.864 . . . . 1.0 110.153 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.24 103.15 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -82.87 151.78 25.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 1.0 111.148 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -41.23 96.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.758 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -136.87 161.54 35.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.885 -1.055 . . . . 1.0 110.788 -179.822 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 N--CA 1.487 1.147 0 N-CA-C 109.526 -0.99 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -116.83 127.86 54.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.971 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.02 79.69 0.37 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.995 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.34 146.37 96.73 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.605 2.87 . . . . 1.0 112.872 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.9 128.19 28.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 177.68 160.08 23.69 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -60.55 141.26 94.86 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.284 1.989 . . . . 1.0 112.448 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 694' ' ' LEU . 78.9 m-20 -68.88 133.97 48.97 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 99.1 mt -50.84 -21.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.063 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 692' ' ' ASP . 84.8 mt -61.73 -42.09 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.896 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.02 -41.04 91.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.215 -0.594 . . . . 1.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.24 -45.08 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 111.954 0.353 . . . . 1.0 111.954 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.08 -44.43 96.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.856 -0.738 . . . . 1.0 109.966 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.19 -41.59 97.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.505 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.8 m -58.61 -46.27 87.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -45.61 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.15 -40.68 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.078 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.25 -43.62 95.39 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.332 -1.107 . . . . 1.0 110.332 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.36 78.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.901 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.6 -43.87 98.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.268 -0.573 . . . . 1.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.34 -42.56 98.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.886 -0.726 . . . . 1.0 111.083 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.19 -41.8 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 708' ' ' GLY . 14.5 tt -70.66 -41.48 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 119.917 -0.713 . . . . 1.0 109.901 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 707' ' ' ILE . . . -58.69 -43.41 96.33 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.37 -1.092 . . . . 1.0 110.37 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.52 -44.42 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.858 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.87 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.085 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.19 96.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.667 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.91 -43.69 98.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.617 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 713' ' ' LEU . 9.9 mp -68.73 -41.3 79.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 1.0 111.257 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.9 -44.61 99.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.905 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -61.39 -47.55 85.3 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.018 -0.734 . . . . 1.0 109.018 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.15 -42.65 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.607 0.242 . . . . 1.0 111.331 -178.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.74 -42.3 99.6 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.33 -0.548 . . . . 1.0 111.098 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.688 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.2 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.0 0.428 . . . . 1.0 111.481 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 22.9 m -60.72 -41.96 96.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.593 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.18 -40.33 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.642 0.608 . . . . 1.0 112.642 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -54.15 -48.58 70.7 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.53 -0.868 . . . . 1.0 109.779 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -105.07 115.1 29.7 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.839 0.352 . . . . 1.0 110.588 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.2 -41.54 98.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -92.81 138.25 31.65 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.094 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.72 -43.26 97.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.336 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 76.0 t80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.617 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.483 0.901 0 N-CA-C 109.465 -1.013 . . . . 1.0 109.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -139.73 151.79 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.788 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 58.3 159.03 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.092 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 147.26 62.67 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.498 2.132 . . . . 1.0 112.71 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -82.73 146.77 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.73 79.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.16 144.69 99.28 Favored 'Trans proline' 0 C--N 1.302 -1.882 0 C-N-CA 122.189 1.926 . . . . 1.0 111.529 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 57.09 33.38 23.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.216 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 694' ' ' LEU . 20.1 tt -67.69 -41.09 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 693' ' ' ILE . 81.3 mt -60.71 -41.1 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.813 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.49 -42.85 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.4 -44.31 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.48 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.41 -43.76 98.06 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.59 -44.08 95.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.919 0.39 . . . . 1.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.7 m -59.2 -44.98 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.179 -0.609 . . . . 1.0 110.256 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.76 -45.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.49 -39.56 93.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.195 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.61 98.7 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.07 87.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.63 0.252 . . . . 1.0 111.074 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.07 -44.02 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.219 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.72 -43.22 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.159 0.429 . . . . 1.0 112.159 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.91 -41.42 97.68 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.13 -36.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.036 -0.666 . . . . 1.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.84 89.92 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.213 -0.994 . . . . 1.0 111.102 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.2 -42.81 96.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.343 -0.543 . . . . 1.0 110.882 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.67 86.17 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.237 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.67 95.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.57 -42.68 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.443 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.41 -40.89 89.87 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.253 0.549 . . . . 1.0 111.034 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.71 -43.83 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.74 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.663 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.95 91.43 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.14 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.26 -41.81 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.657 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 718' ' ' LEU . 92.9 mt -64.92 -40.4 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.765 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.663 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.94 -41.37 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 1.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -61.92 -41.52 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.003 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -41.14 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 113.104 0.779 . . . . 1.0 113.104 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 723' ' ' ASP . 63.5 m80 -53.25 -45.81 68.92 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.824 -0.751 . . . . 1.0 110.116 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 722' ' ' HIS . 96.1 m-20 -18.64 121.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.103 0.877 . . . . 1.0 112.615 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -88.12 140.02 29.91 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.32 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.25 -46.62 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.682 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -78.6 138.2 38.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.667 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 83.5 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.433 179.552 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo . . . . . 0 N--CA 1.485 0.984 0 N-CA-C 110.003 -0.806 . . . . 1.0 110.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -43.7 81.04 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.64 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 67.8 m -137.41 71.19 53.22 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-O 120.843 0.354 . . . . 1.0 110.623 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 -38.19 73.82 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 123.027 2.485 . . . . 1.0 112.433 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.26 -40.07 96.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.63 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 142.74 168.21 11.77 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.7 -1.36 . . . . 1.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.95 148.96 58.49 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.289 1.993 . . . . 1.0 112.093 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 55.7 31.63 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.658 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 694' ' ' LEU . 10.7 tp -65.6 -40.11 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.145 -1.058 . . . . 1.0 108.145 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.473 ' N ' HG23 ' A' ' 693' ' ' ILE . 82.7 mt -61.59 -41.63 97.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.059 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.29 -44.08 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.98 -42.45 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.36 -44.99 92.63 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.985 -0.686 . . . . 1.0 109.449 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 698' ' ' LEU . 82.2 mt -63.34 -42.79 98.96 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.606 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 50.0 m -59.57 -44.77 93.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.488 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.65 -44.42 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.993 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.98 -37.95 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.38 99.28 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.0 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.938 -0.305 . . . . 1.0 110.949 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.13 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.915 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.99 -44.6 92.18 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.55 -41.37 96.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.2 tt -71.14 -40.2 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.552 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.25 97.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.601 -1.0 . . . . 1.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.81 -43.66 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.88 -42.1 88.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.518 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.18 96.54 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.449 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.22 -42.16 99.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.723 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.07 -39.94 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 1.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.79 -44.23 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.692 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.12 -48.24 82.32 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -43.84 88.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.137 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.93 -43.38 98.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.084 -0.246 . . . . 1.0 111.344 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 1.0 110.695 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.692 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -63.37 -42.25 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.042 0.448 . . . . 1.0 111.313 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 75.8 m -62.17 -41.94 98.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.301 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.23 -42.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -54.07 -46.84 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.416 -0.914 . . . . 1.0 109.517 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 723' ' ' ASP . 22.5 p-10 -104.62 106.68 17.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.43 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.93 -39.4 90.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.955 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.49 -44.22 97.47 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.521 -0.471 . . . . 1.0 110.517 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 55.79 74.5 0.38 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.432 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 69.7 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.61 -179.799 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.479 0.626 0 N-CA-C 108.792 -1.272 . . . . 1.0 108.792 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.28 -36.49 79.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 24.2 m 42.68 75.32 0.64 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.241 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 690' ' ' GLY . 22.8 Cg_exo -60.65 143.56 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.304 2.003 . . . . 1.0 111.883 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 689' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 688' ' ' PRO . 98.9 mttt 35.77 -93.48 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.239 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 690' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 688' ' ' PRO . . . -122.12 -170.42 13.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.132 -0.787 . . . . 1.0 111.132 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.94 140.69 91.57 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.751 2.301 . . . . 1.0 111.848 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -140.43 -48.04 0.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.479 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.08 -42.47 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.82 -0.808 . . . . 1.0 108.82 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.92 -41.29 95.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.709 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.02 -43.54 99.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.678 0.275 . . . . 1.0 110.941 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 81.8 t -68.64 -44.16 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.723 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.1 -42.72 99.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.669 -0.812 . . . . 1.0 109.535 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.8 mt -64.2 -42.03 96.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.34 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 56.5 m -59.88 -45.9 91.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.505 -0.478 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 -44.48 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.59 -37.71 84.89 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -44.11 98.58 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.03 78.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.355 . . . . 1.0 110.61 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.25 -43.86 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.698 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.6 -46.2 89.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.153 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.54 -41.01 93.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.639 0.977 . . . . 1.0 113.639 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.42 -40.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.554 -0.858 . . . . 1.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.36 98.17 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.4 -43.89 97.74 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.173 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.83 75.88 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 1.0 110.137 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.95 -43.03 99.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.36 -40.05 74.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.596 0.591 . . . . 1.0 112.596 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 119.59 -0.844 . . . . 1.0 109.93 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -46.03 90.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.537 -0.912 . . . . 1.0 108.537 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -43.43 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.853 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.72 -44.46 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.97 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.93 -38.66 91.7 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.274 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.732 HD11 ' NE1' ' A' ' 715' ' ' TRP . 81.9 mt -62.69 -41.81 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.044 0.45 . . . . 1.0 111.174 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 10.7 m -62.74 -41.85 99.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.893 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.99 -41.81 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.159 0.799 . . . . 1.0 113.159 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.059 -1.057 . . . . 1.0 109.735 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -100.37 111.53 23.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.781 0.324 . . . . 1.0 110.656 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.16 -35.95 82.46 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.816 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -61.4 -43.03 99.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.039 -0.265 . . . . 1.0 111.433 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 138.22 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.656 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 54.3 p90 . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.75 -179.492 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 686' ' ' GLU . 9.4 Cg_endo . . . . . 0 N--CA 1.482 0.845 0 N-CA-C 109.493 -1.003 . . . . 1.0 109.493 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 685' ' ' PRO . 96.7 mt-10 57.17 131.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.617 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 1.3 p -159.98 72.11 3.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.494 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -54.52 -41.47 76.79 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.612 2.208 . . . . 1.0 111.329 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -109.51 128.42 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.043 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -60.66 171.07 7.27 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.91 154.71 53.41 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.009 2.472 . . . . 1.0 111.733 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 139.92 57.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 1.0 110.952 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.35 -42.36 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.61 -0.885 . . . . 1.0 108.61 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 694' ' ' LEU . 10.9 mp -61.71 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.701 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.59 -43.3 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.39 . . . . 1.0 110.634 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 696' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 700' ' ' VAL . 76.7 t -67.09 -42.81 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.408 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.98 -43.56 98.63 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.387 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.66 -43.82 95.6 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.835 0.35 . . . . 1.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.5 m -58.89 -43.71 91.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.679 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 696' ' ' VAL . 92.2 t -63.09 -47.15 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.0 mtp -62.05 -39.32 91.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.825 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -43.33 99.56 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 109.845 -1.302 . . . . 1.0 109.845 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.25 87.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.301 -0.45 . . . . 1.0 111.459 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.53 -43.84 98.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.293 -0.563 . . . . 1.0 110.631 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.0 -42.0 97.31 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.739 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -42.37 97.23 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.87 0.693 . . . . 1.0 112.87 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 16.4 tt -71.52 -38.43 67.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.565 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.13 97.0 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.655 -0.978 . . . . 1.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.99 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.011 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.3 71.63 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.235 -0.586 . . . . 1.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.09 -42.46 99.24 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.445 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.35 -40.52 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 1.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.435 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.687 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -60.93 -47.51 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.47 -43.76 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.741 -178.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.78 -42.68 99.3 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.65 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.449 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 96.3 mt -64.91 -41.87 95.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.703 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.687 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.83 -42.16 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.378 . . . . 1.0 111.671 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 720' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 723' ' ' ASP . 79.5 m -62.84 -41.12 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.9 -40.8 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.662 0.616 . . . . 1.0 112.662 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 62.8 m80 -54.22 -46.97 72.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.297 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 720' ' ' THR . 93.2 m-20 -98.49 114.59 27.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.168 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.738 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.74 137.75 44.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.912 0.387 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.97 -37.24 85.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.627 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 727' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 727' ' ' PHE . 51.3 p90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.096 -0.954 . . . . 1.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo . . . . . 0 N--CA 1.487 1.097 0 N-CA-C 109.41 -1.034 . . . . 1.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.41 134.06 45.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.987 0.423 . . . . 1.0 110.281 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 8.5 t -142.62 73.39 19.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.163 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.56 -28.4 64.76 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.59 2.193 . . . . 1.0 111.776 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -108.42 144.52 35.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 153.97 75.72 0.02 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -53.11 -39.74 79.12 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.48 2.12 . . . . 1.0 112.549 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -81.08 95.54 6.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.342 0.592 . . . . 1.0 111.275 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.73 -42.03 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.852 . . . . 1.0 109.374 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.436 ' O ' HD13 ' A' ' 698' ' ' LEU . 90.2 mt -60.79 -41.78 96.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.713 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.65 -43.84 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.796 0.331 . . . . 1.0 110.62 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.75 -44.36 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.176 0.435 . . . . 1.0 112.176 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 697' ' ' LEU . 84.1 mt -61.93 -43.38 98.95 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 119.579 -0.848 . . . . 1.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 694' ' ' LEU . 8.7 mp -63.84 -41.52 97.8 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.431 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 47.4 m -58.63 -45.33 89.47 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.105 -0.638 . . . . 1.0 110.091 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.76 -45.75 94.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.7 mtp -61.35 -39.04 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.061 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.16 -44.93 97.04 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.66 85.84 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.614 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.02 -44.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.75 -43.68 98.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.429 -0.508 . . . . 1.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.94 -42.06 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.031 0.752 . . . . 1.0 113.031 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 1.6 tp -70.93 -38.06 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.144 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.59 -44.46 97.92 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.221 -1.152 . . . . 1.0 110.221 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.37 -42.51 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.371 -0.532 . . . . 1.0 109.62 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.52 85.1 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.68 96.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.691 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.18 -41.73 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.214 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.41 -40.31 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 1.0 111.201 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.05 -43.72 97.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.749 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.424 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -56.57 -45.86 81.06 Favored 'General case' 0 C--N 1.335 -0.043 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.52 -43.73 93.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.865 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.58 -42.32 98.68 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.133 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.483 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.4 mt -63.54 -42.18 98.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.424 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.7 mt -62.08 -42.28 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 1.0 111.455 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -40.41 97.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.257 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.51 -38.55 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.4 m80 -52.44 -45.31 65.95 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.707 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 722' ' ' HIS . 90.6 m-20 -19.33 95.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.779 0.675 . . . . 1.0 112.378 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.34 -38.9 88.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.45 -46.47 89.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.657 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.68 -40.65 97.33 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.454 -0.498 . . . . 1.0 109.988 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.936 -1.03 . . . . 1.0 110.6 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo . . . . . 0 N--CA 1.481 0.791 0 N-CA-C 109.47 -1.012 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.06 -36.03 79.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 1.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 57.0 p -136.13 79.84 42.78 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.769 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.64 156.8 31.93 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.421 2.081 . . . . 1.0 112.591 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.954 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -168.79 -165.06 25.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.3 145.42 98.42 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.668 2.245 . . . . 1.0 112.231 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.25 -16.26 14.63 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.403 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.64 -42.5 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.153 0.501 . . . . 1.0 109.72 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.59 -42.69 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.454 -0.794 . . . . 1.0 111.833 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.06 -43.37 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.14 -43.4 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.13 0.418 . . . . 1.0 112.13 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -42.97 99.84 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.907 -0.717 . . . . 1.0 110.383 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -42.42 90.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.851 0.357 . . . . 1.0 111.077 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -57.42 -48.69 78.45 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 1.2 p -65.75 -40.09 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.187 -0.605 . . . . 1.0 109.955 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.14 -39.2 93.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.207 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.22 98.84 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.26 79.34 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.437 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.67 -44.14 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.97 -41.26 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.37 0.507 . . . . 1.0 112.37 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.6 -41.39 92.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.74 -39.18 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.989 -0.684 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.79 -44.29 94.28 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.236 -1.146 . . . . 1.0 110.236 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.18 -43.78 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.461 -0.496 . . . . 1.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.57 -37.78 79.39 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.974 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.2 97.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.181 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.06 -42.12 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.823 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.12 -39.82 78.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.896 0.379 . . . . 1.0 110.588 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.09 -43.55 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 1.0 109.684 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.754 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -58.16 -47.49 83.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.106 -0.702 . . . . 1.0 109.106 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.09 -44.04 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.474 -178.173 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.31 -43.4 98.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.707 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.427 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.2 mm? -64.95 -39.6 93.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.439 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.754 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.2 mt -63.02 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.615 -0.434 . . . . 1.0 111.016 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.5 m -61.93 -41.03 97.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.744 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.31 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.648 0.61 . . . . 1.0 112.648 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 64.5 m80 -53.65 -47.83 69.96 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.566 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -101.76 110.12 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.854 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.46 145.02 54.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.48 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.36 -35.62 81.49 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.496 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.44 -40.97 80.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.164 -0.922 . . . . 1.0 111.409 -179.289 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.483 0.896 0 N-CA-C 109.823 -0.876 . . . . 1.0 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.76 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 1.0 109.893 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 46.8 m 43.38 79.34 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.274 -0.875 . . . . 1.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -53.69 -39.77 82.18 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 121.977 1.785 . . . . 1.0 111.757 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 690' ' ' GLY . 64.4 pttt -143.57 148.24 35.63 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.998 0.427 . . . . 1.0 111.521 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 690' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 689' ' ' LYS . . . 44.95 -175.46 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.786 -0.643 . . . . 1.0 112.146 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -52.39 -40.71 70.31 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 123.383 2.722 . . . . 1.0 112.892 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 692' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 689' ' ' LYS . 88.7 m-20 54.55 31.82 15.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.407 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 694' ' ' LEU . 20.1 tt -67.21 -40.49 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.494 ' N ' HG23 ' A' ' 693' ' ' ILE . 86.2 mt -61.44 -42.55 98.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.427 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -42.22 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.046 0.45 . . . . 1.0 110.053 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.06 -44.69 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 1.0 111.654 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.52 -42.97 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.179 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.62 -44.03 97.3 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.905 0.383 . . . . 1.0 110.332 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -59.12 -47.18 86.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.322 -0.551 . . . . 1.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.11 -44.45 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.3 mtp -62.92 -38.53 91.37 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.675 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.16 99.24 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.335 -0.936 . . . . 1.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.32 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.69 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.31 -44.56 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.69 -42.34 98.01 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.556 -0.458 . . . . 1.0 111.783 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.33 -42.13 98.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.44 -38.83 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.526 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.39 98.21 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.142 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 709' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 709' ' ' LEU . 92.5 mt -63.03 -43.65 98.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.63 85.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.08 97.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.2 -40.75 98.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.92 -39.82 79.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.139 0.495 . . . . 1.0 111.505 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.15 -43.15 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.484 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.58 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.34 -48.34 82.0 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -44.0 94.17 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.582 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.975 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.93 -40.91 97.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 1.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.58 HD11 ' NE1' ' A' ' 715' ' ' TRP . 82.8 mt -62.21 -41.64 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.4 m -61.92 -40.09 94.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.223 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.66 -40.39 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 112.134 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -53.58 -49.32 67.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.752 -0.779 . . . . 1.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -98.46 108.63 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.898 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -94.68 152.11 18.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.981 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -96.28 141.77 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.091 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.81 -39.38 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.174 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.928 -1.034 . . . . 1.0 110.807 -179.652 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.484 0.964 0 N-CA-C 109.528 -0.989 . . . . 1.0 109.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -135.46 149.33 49.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.822 0.344 . . . . 1.0 110.714 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.43 156.72 78.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.661 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.17 143.18 63.91 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.562 2.175 . . . . 1.0 111.653 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -77.22 135.44 38.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.768 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.68 71.83 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.598 -1.001 . . . . 1.0 110.598 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -53.76 -38.4 85.03 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.694 2.262 . . . . 1.0 112.042 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 55.15 28.98 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.213 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.06 -43.05 95.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.114 -1.069 . . . . 1.0 108.114 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 694' ' ' LEU . 10.8 mp -61.75 -41.19 97.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.65 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -43.81 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 1.0 110.937 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.41 -43.79 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.501 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.18 -43.1 99.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.037 -0.665 . . . . 1.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.89 -43.07 97.13 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.471 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 58.6 m -58.82 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.239 -0.584 . . . . 1.0 109.916 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.74 -46.28 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.5 mtp -62.13 -37.98 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.88 -43.27 99.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.852 -1.299 . . . . 1.0 109.852 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.621 -0.289 . . . . 1.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.36 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.137 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.72 -43.94 95.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.821 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.44 -42.0 98.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.11 -38.59 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.442 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.5 -43.15 96.13 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.517 -1.033 . . . . 1.0 110.517 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.58 -43.91 97.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.179 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.33 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.175 -0.61 . . . . 1.0 110.098 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.82 94.32 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.54 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.81 -43.19 99.46 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.75 0.309 . . . . 1.0 111.298 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.62 -39.64 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.168 0.508 . . . . 1.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.81 -42.86 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 1.0 109.623 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.32 -45.89 87.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.808 -0.812 . . . . 1.0 108.808 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.22 -43.07 92.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.607 -179.403 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.53 -43.85 95.95 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.829 -0.348 . . . . 1.0 111.71 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.9 mp -63.99 -41.41 97.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.482 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.45 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 112.586 0.587 . . . . 1.0 112.586 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.6 m -62.12 -40.31 95.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.71 0.633 . . . . 1.0 112.71 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 29.9 pt -68.13 -22.41 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.897 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 -56.91 -43.65 81.61 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.943 -0.703 . . . . 1.0 109.761 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 722' ' ' HIS . 48.7 t0 -21.44 -47.01 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.124 0.89 . . . . 1.0 112.551 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 724' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 722' ' ' HIS . 84.8 mtp180 -122.46 148.75 44.77 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.461 -0.57 . . . . 1.0 109.461 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 725' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 726' ' ' GLU . 98.3 mttt -63.55 -40.39 96.88 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.803 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 725' ' ' LYS . 82.7 tt0 45.13 92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.941 -1.028 . . . . 1.0 110.922 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.037 -1.178 . . . . 1.0 109.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 686' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 686' ' ' GLU . 54.9 mp0 -63.92 145.71 55.34 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.3 p -147.31 72.75 11.95 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -60.46 145.18 99.2 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.569 2.179 . . . . 1.0 111.683 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -126.39 146.71 49.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.286 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -56.78 -165.36 0.05 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.03 143.94 99.52 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.293 1.995 . . . . 1.0 111.632 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -109.16 -21.55 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.755 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 694' ' ' LEU . 20.8 tt -65.79 -40.45 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.415 -0.957 . . . . 1.0 108.415 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 693' ' ' ILE . 79.1 mt -62.27 -41.29 98.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.558 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.01 -43.31 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 1.0 110.558 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.47 -44.63 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.441 -0.799 . . . . 1.0 112.219 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.98 -43.45 98.82 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.953 -0.699 . . . . 1.0 109.515 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.46 -42.52 98.61 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.5 m -58.69 -45.75 88.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.566 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.12 -44.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.541 -0.463 . . . . 1.0 109.923 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.33 -37.25 84.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.93 96.85 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.571 -1.012 . . . . 1.0 110.571 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.49 82.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 1.0 111.307 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.32 -43.87 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.449 -0.501 . . . . 1.0 110.307 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.031 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.8 -41.65 95.63 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.232 0.456 . . . . 1.0 112.232 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.23 -39.8 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 120.083 -0.647 . . . . 1.0 110.602 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.94 -43.41 96.82 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.252 -0.975 . . . . 1.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.95 -44.25 96.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 1.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.81 85.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.764 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.15 96.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.44 -44.42 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.055 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 717' ' ' LEU . 11.1 mp -69.44 -38.02 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.904 -0.718 . . . . 1.0 110.523 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.022 -0.671 . . . . 1.0 109.808 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.468 ' NE1' HD11 ' A' ' 719' ' ' ILE . 9.6 t90 -55.86 -45.66 78.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.414 -0.958 . . . . 1.0 108.414 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -57.9 -44.15 86.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.317 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 713' ' ' LEU . 9.0 mp -62.68 -42.64 99.74 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.484 -0.486 . . . . 1.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.82 -40.48 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.332 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.468 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -62.33 -42.34 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.61 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 720' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 723' ' ' ASP . 23.0 m -61.99 -40.86 97.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.952 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.83 -42.08 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.635 0.976 . . . . 1.0 113.635 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -53.3 -46.63 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.772 -0.771 . . . . 1.0 109.505 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 725' ' ' LYS . 55.7 p-10 -158.16 167.28 30.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.193 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -131.08 142.98 50.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.84 0.352 . . . . 1.0 110.577 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 725' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 723' ' ' ASP . 62.5 mttp -133.64 146.37 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.306 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.72 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 1.0 110.501 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.768 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.485 0.99 0 N-CA-C 109.473 -1.01 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 140.34 53.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.279 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.52 164.21 0.34 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.965 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.68 151.11 79.51 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.518 2.146 . . . . 1.0 112.786 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.37 144.55 51.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.205 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.41 -56.63 7.45 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' PRO . . . . . 0.451 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 20.2 Cg_exo -60.3 143.47 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.394 2.062 . . . . 1.0 111.659 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 692' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 96.5 m-20 -143.4 104.91 4.3 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.327 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.79 -42.09 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.553 -0.536 . . . . 1.0 109.553 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 698' ' ' LEU . 93.5 mt -61.3 -41.55 97.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.747 -178.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -43.92 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 82.5 t -68.35 -43.0 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 111.781 0.289 . . . . 1.0 111.781 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.38 -44.13 97.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.068 -0.653 . . . . 1.0 110.691 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 694' ' ' LEU . 8.9 mp -63.74 -42.59 97.83 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.034 0.445 . . . . 1.0 111.052 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.9 m -58.09 -46.79 84.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.017 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.84 -46.72 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.455 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.55 -36.97 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.654 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.95 98.17 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.65 -38.13 74.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.083 0.468 . . . . 1.0 110.269 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 3.8 mm -64.15 -43.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 705' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 705' ' ' LEU . 95.9 mt -63.06 -45.49 91.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.521 -0.471 . . . . 1.0 111.429 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.22 -41.68 96.91 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.466 0.913 . . . . 1.0 113.466 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.7 tt -70.06 -40.1 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.206 -0.598 . . . . 1.0 110.515 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.57 99.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.305 -0.95 . . . . 1.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.67 -42.43 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.212 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.24 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.841 -0.743 . . . . 1.0 110.338 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.16 97.07 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.28 -42.67 99.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.355 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.03 -39.11 83.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 1.0 111.114 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.87 -43.73 99.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.042 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.723 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -55.84 -46.35 78.19 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.83 -42.36 93.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.136 -179.17 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.97 -44.93 95.71 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.955 0.354 . . . . 1.0 111.955 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.71 -40.09 94.77 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.751 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.723 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.0 mt -62.4 -42.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.91 0.386 . . . . 1.0 111.682 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -62.54 -40.34 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.571 . . . . 1.0 111.63 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.58 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -57.05 -49.86 74.53 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.893 -0.723 . . . . 1.0 110.709 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -102.43 111.85 24.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.705 -0.479 . . . . 1.0 109.705 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -93.04 106.27 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.159 0.504 . . . . 1.0 110.7 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.73 -43.54 93.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.228 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -115.19 120.64 40.4 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.845 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.044 -0.979 . . . . 1.0 110.518 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo . . . . . 0 N--CA 1.486 1.068 0 N-CA-C 109.824 -0.876 . . . . 1.0 109.824 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -116.52 129.64 56.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.105 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' SER . . . . . 0.551 ' N ' ' CD ' ' A' ' 688' ' ' PRO . 0.0 OUTLIER 179.05 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.999 -0.28 . . . . 1.0 111.374 179.55 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 688' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 687' ' ' SER . 32.5 Cg_exo -57.56 -33.8 97.07 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.569 2.179 . . . . 1.0 111.953 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.8 tttm 44.7 26.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.064 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.81 171.69 26.01 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' PRO . . . . . 0.447 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 42.9 Cg_exo -53.58 -41.56 72.68 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.176 1.917 . . . . 1.0 112.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 96.2 m-20 -143.67 136.73 27.65 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.114 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 40.4 pt -54.97 -31.16 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.05 -1.093 . . . . 1.0 108.05 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.57 -43.04 99.81 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.243 -0.89 . . . . 1.0 111.5 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.95 -43.91 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 1.0 110.637 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.29 -43.82 87.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.302 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.51 -44.28 96.19 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.702 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -44.01 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.982 0.42 . . . . 1.0 110.709 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.4 m -58.13 -45.61 87.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.618 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.64 -46.64 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 82.0 mtp -61.42 -38.52 87.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.433 -0.803 . . . . 1.0 111.727 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.53 96.59 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.64 75.6 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.465 0.542 . . . . 1.0 112.465 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.27 -42.78 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.561 -0.856 . . . . 1.0 110.633 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.85 -43.3 96.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.292 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.05 -41.6 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.39 -36.58 55.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 119.859 -0.736 . . . . 1.0 110.409 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.66 -43.0 94.55 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.33 -43.98 97.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 1.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.16 -36.63 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.69 94.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.667 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -42.16 99.3 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.669 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.25 -38.96 82.34 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.731 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.243 -0.583 . . . . 1.0 109.655 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -57.95 -47.59 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.14 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.008 -179.075 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.39 -44.38 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.003 -0.279 . . . . 1.0 111.3 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.34 -40.91 96.81 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.453 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.22 -42.17 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.878 -0.329 . . . . 1.0 111.723 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 720' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 723' ' ' ASP . 73.3 m -62.64 -41.9 99.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 1.0 110.911 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.18 -40.97 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 1.0 112.45 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -53.39 -47.12 69.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 119.24 -0.984 . . . . 1.0 108.994 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 720' ' ' THR . 59.0 t0 -100.97 109.92 21.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.28 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -82.23 140.93 33.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.009 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.4 140.6 34.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.151 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.88 132.66 54.04 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 727' ' ' PHE . . . . . 0.471 ' CD2' ' OXT' ' A' ' 727' ' ' PHE . 74.4 t80 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.484 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.482 0.812 0 N-CA-C 109.602 -0.961 . . . . 1.0 109.602 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.2 -38.79 82.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.881 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.58 172.26 7.67 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.764 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 688' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 690' ' ' GLY . 15.6 Cg_exo -60.44 144.38 99.51 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.752 1.634 . . . . 1.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 41.03 -96.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.245 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 690' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 688' ' ' PRO . . . 168.06 171.59 34.14 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 691' ' ' PRO . . . . . 0.447 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 61.3 Cg_endo -72.2 150.79 54.03 Favored 'Trans proline' 0 C--N 1.301 -1.973 0 C-N-CA 123.049 2.499 . . . . 1.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 98.6 m-20 -140.23 -46.91 0.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.933 0.397 . . . . 1.0 110.746 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 36.9 pt -56.36 -26.99 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.81 -41.8 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.29 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.62 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.739 0.304 . . . . 1.0 111.105 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.2 -42.94 88.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.283 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.11 -44.43 96.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.4 mt -64.6 -42.03 95.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.96 0.409 . . . . 1.0 110.931 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 66.3 m -58.11 -46.23 85.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.859 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.34 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.32 -45.79 95.74 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.25 -1.14 . . . . 1.0 110.25 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.11 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.91 -43.57 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.591 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.97 -43.7 94.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.25 -40.23 93.73 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.496 0.554 . . . . 1.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 5.0 tt -70.79 -39.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.915 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.65 -44.2 97.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.594 -1.002 . . . . 1.0 110.594 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 709' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 709' ' ' LEU . 85.6 mt -62.76 -42.77 99.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.172 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.92 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.95 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.336 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 712' ' ' LEU . 96.9 mt -63.87 -40.72 97.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.007 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -41.09 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 1.0 111.649 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.91 -42.9 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.192 -0.603 . . . . 1.0 109.966 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.631 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.1 t90 -54.49 -45.39 73.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.625 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -58.68 -43.23 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.823 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.646 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 718' ' ' LEU . 11.0 mp -66.69 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.071 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.631 HD11 ' NE1' ' A' ' 715' ' ' TRP . 97.5 mt -61.69 -41.52 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 C-N-CA 120.114 -0.635 . . . . 1.0 110.283 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.7 m -63.95 -42.87 97.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.797 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 721' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 718' ' ' LEU . 3.5 tt -66.32 -32.16 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.361 0.504 . . . . 1.0 112.361 -177.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -56.76 -45.77 81.84 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.6 -0.84 . . . . 1.0 109.464 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.78 115.48 30.63 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.183 0.516 . . . . 1.0 110.911 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -62.84 -40.08 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.141 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.35 149.25 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.829 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -133.02 143.19 49.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 1.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.846 -1.073 . . . . 1.0 110.408 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.481 0.738 0 N-CA-C 109.168 -1.128 . . . . 1.0 109.168 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.39 130.54 53.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.177 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.0 p -171.89 71.67 0.47 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.256 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.83 146.12 97.96 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.503 2.135 . . . . 1.0 111.609 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.49 144.02 50.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -94.52 -171.16 37.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.661 -0.78 . . . . 1.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.47 143.84 99.48 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.08 2.52 . . . . 1.0 112.527 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -74.72 139.12 43.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.528 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -51.26 -25.77 4.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.953 -0.758 . . . . 1.0 108.953 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.51 -41.66 98.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.837 -0.62 . . . . 1.0 112.5 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 696' ' ' VAL . 1.4 m -61.39 -41.71 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.681 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 696' ' ' VAL . . . . . 0.431 ' N ' ' CG2' ' A' ' 695' ' ' VAL . 74.8 t -67.91 -43.05 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.284 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.13 -44.05 97.93 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.944 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -42.85 95.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 74.7 m -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.0 -0.68 . . . . 1.0 110.393 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.71 -46.18 95.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.617 -0.433 . . . . 1.0 109.969 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -61.53 -39.11 89.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.081 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.39 99.3 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.729 -0.948 . . . . 1.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.9 90.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.441 -0.379 . . . . 1.0 111.803 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -43.86 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.695 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.56 -42.9 95.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.324 0.49 . . . . 1.0 112.324 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.54 -42.04 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.862 0.69 . . . . 1.0 112.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.0 tt -71.8 -38.65 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.549 -0.461 . . . . 1.0 111.01 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.64 -42.82 91.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.846 -1.302 . . . . 1.0 109.846 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.85 -43.56 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.58 90.35 Favored 'General case' 0 N--CA 1.461 0.085 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.444 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.16 -42.2 99.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.374 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.5 mt -68.09 -40.1 82.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.252 0.549 . . . . 1.0 110.585 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.28 -43.88 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.122 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.585 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -58.02 -47.05 84.23 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.748 -0.834 . . . . 1.0 108.748 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -60.72 -42.84 98.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.041 -178.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 717' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 717' ' ' LEU . 55.1 mt -61.72 -43.1 99.5 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.32 -41.54 98.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.757 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.585 HD11 ' NE1' ' A' ' 715' ' ' TRP . 91.8 mt -63.22 -41.55 93.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.3 m -62.94 -42.22 99.74 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.193 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.91 -42.06 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.754 0.65 . . . . 1.0 112.754 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -54.9 -47.05 74.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.224 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -98.1 103.98 15.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 1.0 110.23 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -134.05 129.78 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.058 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.03 141.64 37.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.084 0.469 . . . . 1.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.87 -37.42 84.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.683 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.133 -0.937 . . . . 1.0 110.768 -179.528 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.478 0.567 0 N-CA-C 109.615 -0.956 . . . . 1.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 56.56 37.45 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.713 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 8.6 t -168.75 81.62 0.73 Allowed Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.027 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.79 145.76 98.47 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.484 2.123 . . . . 1.0 112.268 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.51 -43.79 92.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.012 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -174.08 -168.28 34.78 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -61.89 143.94 96.12 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.641 2.227 . . . . 1.0 112.191 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -138.74 -48.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.129 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.77 -41.21 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.455 -0.943 . . . . 1.0 108.455 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 694' ' ' LEU . 36.9 mt -60.91 -39.83 90.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.109 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.88 -42.97 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.13 -43.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.625 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.89 -44.13 94.39 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.924 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.019 0.438 . . . . 1.0 110.63 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.4 m -58.11 -48.11 81.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.813 -0.631 . . . . 1.0 111.805 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.04 -41.14 91.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.274 -0.57 . . . . 1.0 109.801 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.9 -39.37 91.75 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.763 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.14 -43.5 99.33 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.11 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.585 -0.307 . . . . 1.0 110.961 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.4 -45.98 88.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.69 -0.404 . . . . 1.0 111.536 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.22 -41.56 96.98 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.71 -40.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.041 -0.664 . . . . 1.0 110.578 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.54 -42.56 94.08 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 709' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 709' ' ' LEU . 39.3 mt -63.9 -42.5 97.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 1.0 110.51 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.54 83.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.525 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.53 94.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.828 . . . . 1.0 109.849 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.393 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.22 -39.61 75.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.471 . . . . 1.0 111.321 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.66 -43.08 96.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.242 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.589 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -54.76 -46.2 74.31 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.67 -178.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.13 -43.62 98.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.961 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.86 -38.86 92.4 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.268 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.589 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.4 mt -62.42 -41.15 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.094 0.473 . . . . 1.0 110.648 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.6 m -63.11 -42.16 99.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.412 -0.813 . . . . 1.0 111.045 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.75 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.234 -0.986 . . . . 1.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -99.78 112.66 24.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.257 0.551 . . . . 1.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -83.37 138.87 33.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.57 147.66 27.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.464 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.57 -40.65 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.44 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.121 -0.942 . . . . 1.0 110.653 179.459 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo . . . . . 0 N--CA 1.486 1.088 0 N-CA-C 109.544 -0.983 . . . . 1.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.96 -36.47 80.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.784 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.1 157.78 33.02 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.383 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.26 -23.22 72.48 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.809 2.34 . . . . 1.0 111.671 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.43 140.6 41.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.945 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 690' ' ' GLY . . . . . 0.545 ' H ' ' CD ' ' A' ' 691' ' ' PRO . . . -107.84 -51.24 0.75 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 691' ' ' PRO . . . . . 0.545 ' CD ' ' H ' ' A' ' 690' ' ' GLY . 22.4 Cg_exo -61.45 148.03 93.98 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.662 2.241 . . . . 1.0 111.518 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -65.74 143.6 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.64 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 32.7 pt -58.35 -31.56 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.827 -0.805 . . . . 1.0 108.827 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.66 -41.44 95.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.601 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.82 -42.44 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.637 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.91 -42.58 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.56 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.78 -44.01 94.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.91 -42.68 99.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 1.0 110.527 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 55.8 m -58.03 -46.9 84.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.516 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.71 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.082 0.468 . . . . 1.0 110.176 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.0 mtp -62.6 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.877 -0.602 . . . . 1.0 111.43 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.95 98.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.51 80.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.525 -0.338 . . . . 1.0 111.104 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 32.4 mm -64.44 -44.39 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.37 -42.46 92.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.057 0.391 . . . . 1.0 112.057 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.93 -41.44 95.53 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.47 0.545 . . . . 1.0 112.47 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.81 -40.54 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 120.194 -0.603 . . . . 1.0 111.196 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.28 97.13 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.15 -1.024 . . . . 1.0 110.802 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.47 -44.91 93.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.398 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.22 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.35 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.396 -0.82 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.27 -42.64 98.98 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 713' ' ' LEU . 4.2 mm? -67.61 -38.68 84.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.597 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.96 -45.03 99.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.317 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.422 ' NE1' HD11 ' A' ' 719' ' ' ILE . 8.8 t90 -58.62 -45.13 89.89 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.939 -0.763 . . . . 1.0 108.939 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -44.8 86.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.623 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.2 -42.85 99.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.561 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.475 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 90.6 mt -64.04 -43.3 95.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.348 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.422 HD11 ' NE1' ' A' ' 715' ' ' TRP . 79.3 mt -63.65 -41.88 94.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.037 0.446 . . . . 1.0 111.514 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 720' ' ' THR . . . . . 0.457 ' CG2' ' HE ' ' A' ' 724' ' ' ARG . 19.7 m -61.06 -43.11 99.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.228 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.7 -39.45 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.832 0.679 . . . . 1.0 112.832 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.4 m80 -52.88 -44.69 67.05 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.27 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 720' ' ' THR . 32.1 p-10 -101.26 8.13 42.62 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.946 -0.301 . . . . 1.0 111.674 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 724' ' ' ARG . . . . . 0.457 ' HE ' ' CG2' ' A' ' 720' ' ' THR . 61.6 ttm-85 -130.07 143.11 50.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.873 0.368 . . . . 1.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -133.05 148.77 52.21 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -69.4 -39.79 77.73 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.329 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.696 179.627 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 N--CA 1.483 0.892 0 N-CA-C 109.631 -0.95 . . . . 1.0 109.631 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 56.65 77.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.176 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 78.7 p -172.53 78.72 0.44 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.134 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.37 -37.38 89.01 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.452 2.102 . . . . 1.0 111.131 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.81 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 50.16 -168.4 0.3 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -62.6 145.85 95.3 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.786 2.324 . . . . 1.0 111.905 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.7 146.39 52.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.94 -41.9 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.162 -1.051 . . . . 1.0 108.162 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.6 -40.82 88.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.393 -0.822 . . . . 1.0 110.596 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.47 -43.22 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 1.0 110.688 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 85.1 t -68.77 -42.73 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.87 -42.3 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.67 -41.76 95.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.7 m -58.26 -47.89 82.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.697 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.49 -41.7 93.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 120.053 -0.659 . . . . 1.0 109.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.58 -38.83 91.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.685 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.94 98.54 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.363 -1.095 . . . . 1.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.191 -0.504 . . . . 1.0 110.781 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.02 -44.82 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.72 -44.95 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.722 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.46 -41.48 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.97 0.729 . . . . 1.0 112.97 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -70.77 -39.1 75.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.118 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 712' ' ' LEU . . . -59.33 -44.19 96.74 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.385 -0.526 . . . . 1.0 109.697 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.21 80.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.798 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.63 88.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.861 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 712' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 708' ' ' GLY . 9.5 mp -63.38 -40.88 98.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.118 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.0 mt -66.6 -41.1 88.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.213 0.53 . . . . 1.0 110.826 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.7 mm -63.09 -43.62 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.347 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -58.71 -48.31 81.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.588 -0.893 . . . . 1.0 108.588 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.853 -179.385 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.57 -42.46 98.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.634 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.39 -41.2 96.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.775 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.82 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 1.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 720' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 724' ' ' ARG . 87.1 m -62.77 -42.18 99.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.264 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.7 -41.38 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -53.19 -46.32 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.494 -0.882 . . . . 1.0 109.8 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -89.5 -85.79 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.175 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 724' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 720' ' ' THR . 85.6 mtt85 -75.85 145.01 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.584 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -126.37 141.18 52.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.249 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -107.6 114.0 27.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 727' ' ' PHE . . . . . 0.43 ' CD2' ' OXT' ' A' ' 727' ' ' PHE . 86.3 t80 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.48 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 N--CA 1.484 0.967 0 N-CA-C 109.706 -0.921 . . . . 1.0 109.706 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.01 134.7 43.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.38 170.97 5.65 Favored Pre-proline 0 C--O 1.232 0.146 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.106 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -51.81 -41.43 62.64 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.038 1.825 . . . . 1.0 111.646 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -95.51 139.38 31.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.71 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 690' ' ' GLY . . . . . 0.576 ' N ' ' CD ' ' A' ' 691' ' ' PRO . . . 160.26 -43.29 0.43 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.575 -0.822 . . . . 1.0 111.656 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 691' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 690' ' ' GLY . 26.2 Cg_exo -59.64 140.69 94.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.565 2.177 . . . . 1.0 112.646 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -120.06 4.65 10.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.153 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 693' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 694' ' ' LEU . 19.5 tt -72.72 -42.01 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.667 -0.864 . . . . 1.0 108.667 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 694' ' ' LEU . . . . . 0.49 ' N ' HG23 ' A' ' 693' ' ' ILE . 95.2 mt -64.38 -43.88 93.09 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.346 0.869 . . . . 1.0 113.346 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 695' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 696' ' ' VAL . 11.9 p -62.68 -40.95 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.715 -0.794 . . . . 1.0 111.274 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 696' ' ' VAL . . . . . 0.404 ' N ' HG13 ' A' ' 695' ' ' VAL . 80.4 t -67.99 -44.62 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 111.904 0.335 . . . . 1.0 111.904 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.28 -46.25 89.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.93 -42.4 94.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.187 -0.205 . . . . 1.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 71.4 m -59.03 -45.76 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.456 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.25 -45.22 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.025 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.2 mtp -60.99 -38.19 85.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.563 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.96 98.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.486 -1.045 . . . . 1.0 110.486 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.302 . . . . 1.0 111.351 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.831 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.6 -41.76 96.0 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.104 0.409 . . . . 1.0 112.104 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.22 -41.37 99.12 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.81 -36.64 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.874 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.1 94.69 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.426 -0.892 . . . . 1.0 111.342 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.72 -42.8 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.32 -0.552 . . . . 1.0 110.326 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.83 95.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.143 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.55 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.583 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.93 -40.49 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 1.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.28 -42.54 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.553 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 715' ' ' TRP . . . . . 0.69 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.2 t90 -56.63 -46.82 80.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.21 -44.68 92.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.197 -178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.72 -43.07 99.75 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.108 -0.637 . . . . 1.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.404 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 93.0 mt -63.89 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.261 -0.576 . . . . 1.0 110.48 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 719' ' ' ILE . . . . . 0.69 HD11 ' NE1' ' A' ' 715' ' ' TRP . 94.5 mt -62.16 -41.89 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.95 0.405 . . . . 1.0 111.395 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.1 m -61.83 -41.9 98.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.062 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 27.9 mm -63.94 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.788 0.662 . . . . 1.0 112.788 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 723' ' ' ASP . 63.2 m80 -53.35 -44.51 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.061 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 724' ' ' ARG . 62.3 t0 -20.52 136.78 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.74 0.645 . . . . 1.0 112.74 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 724' ' ' ARG . . . . . 0.543 ' N ' ' OD1' ' A' ' 723' ' ' ASP . 99.8 mtt180 -78.54 139.3 38.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.633 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -97.14 149.95 21.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 1.0 111.201 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 52.08 82.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.103 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.558 -179.626 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.483 0.853 0 N-CA-C 108.702 -1.307 . . . . 1.0 108.702 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.88 -39.06 90.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.625 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.48 74.37 0.7 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.784 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.31 143.44 98.02 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.821 2.347 . . . . 1.0 111.47 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.82 -41.54 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.122 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 51.67 59.7 8.25 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 121.142 -0.552 . . . . 1.0 111.954 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.96 142.38 74.91 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.445 2.097 . . . . 1.0 111.41 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -130.13 3.22 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.063 -0.255 . . . . 1.0 110.73 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.86 -42.5 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 178.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.63 -39.8 92.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.713 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.18 -43.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.104 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.72 -46.57 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.55 0.574 . . . . 1.0 112.55 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.13 -43.0 99.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.754 -0.778 . . . . 1.0 110.846 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.69 -44.23 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.663 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.2 m -59.28 -44.25 92.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.269 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.74 -45.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.522 -0.547 . . . . 1.0 109.522 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.72 -39.95 95.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.83 0.347 . . . . 1.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.98 -43.2 99.73 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.375 -1.49 . . . . 1.0 109.375 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.39 76.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.352 -0.424 . . . . 1.0 110.58 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.86 -44.48 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.013 0.435 . . . . 1.0 110.22 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -44.52 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.836 -178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.743 0.646 . . . . 1.0 112.743 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.02 -38.36 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.733 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.3 -42.64 99.19 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.215 -0.993 . . . . 1.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.96 -43.07 99.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.437 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.14 81.3 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.933 -0.707 . . . . 1.0 109.703 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.29 96.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 1.0 110.135 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.76 -43.06 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.325 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.7 -40.01 80.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.588 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.96 -43.53 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.677 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.21 -49.03 79.25 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -60.49 -39.98 89.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.908 -178.575 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.37 -43.48 98.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.363 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 718' ' ' LEU . . . . . 0.503 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.9 mt -64.08 -43.8 94.34 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.667 -0.413 . . . . 1.0 111.222 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.93 -41.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -62.12 -41.73 98.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.042 0.449 . . . . 1.0 110.453 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.43 -38.71 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 112.255 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 722' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 48.3 m80 -53.18 -41.77 65.57 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.689 -0.804 . . . . 1.0 110.402 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 722' ' ' HIS . 97.2 m-20 -20.96 137.67 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.707 0.63 . . . . 1.0 112.604 -178.621 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -73.45 149.89 42.06 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.319 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -135.03 146.43 48.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.931 0.396 . . . . 1.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.837 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 727' ' ' PHE . . . . . 0.505 ' OXT' ' CG ' ' A' ' 727' ' ' PHE . 84.9 t80 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.816 -1.088 . . . . 1.0 109.766 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.849 -0.426 . . . . 1.05 109.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 72.5 t -71.24 -43.5 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.86 -0.422 . . . . 0.23 109.86 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 16.4 mt -61.25 -46.23 91.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 117.936 -1.506 . . . . 1.71 107.85 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.62 -46.13 89.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.786 0.327 . . . . 0.84 110.132 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 39.2 m -60.73 -47.37 86.58 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 119.458 -0.897 . . . . 0.19 109.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.08 -46.53 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 108.538 -0.912 . . . . 0.84 108.538 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.2 mtp -62.05 -37.56 85.41 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.214 -0.595 . . . . 0.31 110.732 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.9 93.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.393 -1.083 . . . . 0.17 110.393 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.37 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.731 -0.734 . . . . 0.17 110.669 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.41 -44.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.552 -0.749 . . . . 1.06 110.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.85 -43.22 93.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.359 -0.536 . . . . 1.67 112.199 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.77 -41.09 96.12 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.126 0.788 . . . . 1.28 113.126 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -71.68 -40.19 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 119.969 -0.692 . . . . 0.75 110.065 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.61 89.26 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 119.098 -1.525 . . . . 0.13 110.602 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.35 -44.23 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.307 -0.557 . . . . 1.79 110.697 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.75 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.842 -0.743 . . . . 0.15 109.708 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.42 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.352 -0.84 . . . . 0.18 110.367 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.518 -0.31 . . . . 1.79 110.989 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.62 -41.89 75.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.452 -0.499 . . . . 1.21 111.491 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.61 -42.8 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 119.946 -0.702 . . . . 1.08 110.103 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.461 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -56.71 -46.9 80.98 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.846 -1.168 . . . . 0.31 107.846 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -61.36 -43.19 99.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.77 111.188 -178.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.83 -42.84 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.553 -0.459 . . . . 1.74 111.119 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.38 -38.91 85.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.077 -0.342 . . . . 1.31 110.077 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.461 HD11 ' NE1' ' A' ' 715' ' ' TRP . 80.5 mt -60.82 -40.12 84.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.681 -0.808 . . . . 1.04 110.403 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.1 m -61.56 -41.73 97.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.062 -0.972 . . . . 0.25 109.388 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.01 -40.96 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 113.554 0.946 . . . . 1.36 113.554 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 57.4 m80 . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 107.175 -1.417 . . . . 0.36 107.175 179.297 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.766 0.317 . . . . 1.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.61 -42.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.911 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.881 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.91 -42.8 94.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.552 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 69.9 m -59.65 -45.3 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.226 -0.59 . . . . 1.0 110.503 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.64 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.29 -37.23 86.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.19 -44.18 98.08 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.421 -1.071 . . . . 1.0 110.421 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.78 82.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.735 0.303 . . . . 1.0 110.958 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.3 -43.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.342 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.15 -43.86 93.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.932 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.55 -41.68 92.72 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.005 0.742 . . . . 1.0 113.005 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.6 tt -71.68 -38.91 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.098 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.28 96.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.61 -43.6 98.39 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.11 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.42 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.43 -42.51 99.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 713' ' ' LEU . 89.9 mt -67.05 -39.83 86.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.479 -0.328 . . . . 1.0 111.581 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.58 -43.74 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.514 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.747 ' NE1' HD11 ' A' ' 719' ' ' ILE . 11.2 t90 -57.55 -47.12 82.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.74 -43.44 94.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.555 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.81 -41.85 98.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.445 -0.502 . . . . 1.0 109.991 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.582 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.5 mt -62.7 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.747 HD11 ' NE1' ' A' ' 715' ' ' TRP . 92.4 mt -63.49 -42.24 95.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 12.6 m -63.14 -42.19 99.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 42.0 pt -68.89 -26.51 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.371 -0.532 . . . . 1.0 112.4 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.582 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 51.7 m80 . . . . . 0 N--CA 1.467 0.412 0 C-N-CA 119.539 -0.864 . . . . 1.0 110.153 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 120.6 0.238 . . . . 1.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.24 -45.08 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 111.954 0.353 . . . . 1.0 111.954 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.08 -44.43 96.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.856 -0.738 . . . . 1.0 109.966 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.19 -41.59 97.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.505 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.8 m -58.61 -46.27 87.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -45.61 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.15 -40.68 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.078 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.25 -43.62 95.39 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.332 -1.107 . . . . 1.0 110.332 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.36 78.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.901 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.6 -43.87 98.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.268 -0.573 . . . . 1.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.34 -42.56 98.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.886 -0.726 . . . . 1.0 111.083 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.19 -41.8 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 708' ' ' GLY . 14.5 tt -70.66 -41.48 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 119.917 -0.713 . . . . 1.0 109.901 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 707' ' ' ILE . . . -58.69 -43.41 96.33 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.37 -1.092 . . . . 1.0 110.37 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.52 -44.42 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.858 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.87 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.085 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.19 96.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.667 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.91 -43.69 98.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.617 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 713' ' ' LEU . 9.9 mp -68.73 -41.3 79.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 1.0 111.257 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.9 -44.61 99.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.905 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -61.39 -47.55 85.3 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.018 -0.734 . . . . 1.0 109.018 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.15 -42.65 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.607 0.242 . . . . 1.0 111.331 -178.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.74 -42.3 99.6 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.33 -0.548 . . . . 1.0 111.098 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.688 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.2 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.0 0.428 . . . . 1.0 111.481 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 22.9 m -60.72 -41.96 96.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.593 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.18 -40.33 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.642 0.608 . . . . 1.0 112.642 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 49.4 m80 . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 119.53 -0.868 . . . . 1.0 109.779 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.786 0.327 . . . . 1.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.4 -44.31 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.48 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.41 -43.76 98.06 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.59 -44.08 95.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.919 0.39 . . . . 1.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.7 m -59.2 -44.98 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.179 -0.609 . . . . 1.0 110.256 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.76 -45.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.49 -39.56 93.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.195 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.61 98.7 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.07 87.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.63 0.252 . . . . 1.0 111.074 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.07 -44.02 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.219 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.72 -43.22 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.159 0.429 . . . . 1.0 112.159 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.91 -41.42 97.68 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.13 -36.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.036 -0.666 . . . . 1.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.84 89.92 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.213 -0.994 . . . . 1.0 111.102 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.2 -42.81 96.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.343 -0.543 . . . . 1.0 110.882 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.67 86.17 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.237 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.67 95.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.57 -42.68 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.443 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.41 -40.89 89.87 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.253 0.549 . . . . 1.0 111.034 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.71 -43.83 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.74 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.663 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.95 91.43 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.14 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.26 -41.81 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.657 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 718' ' ' LEU . 92.9 mt -64.92 -40.4 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.765 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.663 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.94 -41.37 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 1.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -61.92 -41.52 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.003 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -41.14 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 113.104 0.779 . . . . 1.0 113.104 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 63.5 m80 . . . . . 0 C--N 1.329 -0.289 0 C-N-CA 119.824 -0.751 . . . . 1.0 110.116 -179.851 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.98 -42.45 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.36 -44.99 92.63 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.985 -0.686 . . . . 1.0 109.449 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 698' ' ' LEU . 82.2 mt -63.34 -42.79 98.96 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.606 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 50.0 m -59.57 -44.77 93.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.488 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.65 -44.42 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.993 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.98 -37.95 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.38 99.28 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.0 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.938 -0.305 . . . . 1.0 110.949 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.13 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.915 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.99 -44.6 92.18 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.55 -41.37 96.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.2 tt -71.14 -40.2 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.552 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.25 97.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.601 -1.0 . . . . 1.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.81 -43.66 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.88 -42.1 88.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.518 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.18 96.54 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.449 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.22 -42.16 99.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.723 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.07 -39.94 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 1.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.79 -44.23 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.692 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.12 -48.24 82.32 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -43.84 88.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.137 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.93 -43.38 98.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.084 -0.246 . . . . 1.0 111.344 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 1.0 110.695 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.692 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -63.37 -42.25 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.042 0.448 . . . . 1.0 111.313 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 75.8 m -62.17 -41.94 98.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.301 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.23 -42.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 C--N 1.33 -0.266 0 C-N-CA 119.416 -0.914 . . . . 1.0 109.517 179.569 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.678 0.275 . . . . 1.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 81.8 t -68.64 -44.16 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.723 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.1 -42.72 99.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.669 -0.812 . . . . 1.0 109.535 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.8 mt -64.2 -42.03 96.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.34 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 56.5 m -59.88 -45.9 91.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.505 -0.478 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 -44.48 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.59 -37.71 84.89 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -44.11 98.58 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.03 78.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.355 . . . . 1.0 110.61 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.25 -43.86 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.698 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.6 -46.2 89.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.153 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.54 -41.01 93.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.639 0.977 . . . . 1.0 113.639 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.42 -40.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.554 -0.858 . . . . 1.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.36 98.17 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.4 -43.89 97.74 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.173 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.83 75.88 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 1.0 110.137 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.95 -43.03 99.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.36 -40.05 74.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.596 0.591 . . . . 1.0 112.596 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 119.59 -0.844 . . . . 1.0 109.93 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -46.03 90.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.537 -0.912 . . . . 1.0 108.537 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -43.43 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.853 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.72 -44.46 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.97 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.93 -38.66 91.7 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.274 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.732 HD11 ' NE1' ' A' ' 715' ' ' TRP . 81.9 mt -62.69 -41.81 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.044 0.45 . . . . 1.0 111.174 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 10.7 m -62.74 -41.85 99.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.893 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.99 -41.81 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.159 0.799 . . . . 1.0 113.159 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 67.5 m80 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 119.059 -1.057 . . . . 1.0 109.735 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.92 0.39 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 700' ' ' VAL . 76.7 t -67.09 -42.81 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.408 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.98 -43.56 98.63 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.387 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.66 -43.82 95.6 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.835 0.35 . . . . 1.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.5 m -58.89 -43.71 91.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.679 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 696' ' ' VAL . 92.2 t -63.09 -47.15 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.0 mtp -62.05 -39.32 91.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.825 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -43.33 99.56 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 109.845 -1.302 . . . . 1.0 109.845 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.25 87.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.301 -0.45 . . . . 1.0 111.459 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.53 -43.84 98.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.293 -0.563 . . . . 1.0 110.631 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.0 -42.0 97.31 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.739 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -42.37 97.23 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.87 0.693 . . . . 1.0 112.87 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 16.4 tt -71.52 -38.43 67.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.565 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.13 97.0 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.655 -0.978 . . . . 1.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.99 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.011 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.3 71.63 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.235 -0.586 . . . . 1.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.09 -42.46 99.24 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.445 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.35 -40.52 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 1.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.435 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.687 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -60.93 -47.51 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.47 -43.76 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.741 -178.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.78 -42.68 99.3 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.65 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.449 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 96.3 mt -64.91 -41.87 95.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.703 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.687 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.83 -42.16 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.378 . . . . 1.0 111.671 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 79.5 m -62.84 -41.12 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.9 -40.8 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.662 0.616 . . . . 1.0 112.662 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 62.8 m80 . . . . . 0 C--N 1.329 -0.308 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.297 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.796 0.331 . . . . 1.0 110.62 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.75 -44.36 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.176 0.435 . . . . 1.0 112.176 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 697' ' ' LEU . 84.1 mt -61.93 -43.38 98.95 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 119.579 -0.848 . . . . 1.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.84 -41.52 97.8 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.431 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 47.4 m -58.63 -45.33 89.47 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.105 -0.638 . . . . 1.0 110.091 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.76 -45.75 94.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.7 mtp -61.35 -39.04 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.061 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.16 -44.93 97.04 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.66 85.84 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.614 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.02 -44.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.75 -43.68 98.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.429 -0.508 . . . . 1.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.94 -42.06 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.031 0.752 . . . . 1.0 113.031 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 1.6 tp -70.93 -38.06 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.144 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.59 -44.46 97.92 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.221 -1.152 . . . . 1.0 110.221 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.37 -42.51 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.371 -0.532 . . . . 1.0 109.62 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.52 85.1 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.68 96.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.691 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.18 -41.73 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.214 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.41 -40.31 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 1.0 111.201 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.05 -43.72 97.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.749 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.424 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -56.57 -45.86 81.06 Favored 'General case' 0 C--N 1.335 -0.043 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.52 -43.73 93.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.865 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.58 -42.32 98.68 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.133 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.483 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.4 mt -63.54 -42.18 98.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.424 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.7 mt -62.08 -42.28 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 1.0 111.455 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -40.41 97.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.257 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.51 -38.55 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.4 m80 . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.707 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.636 0.255 . . . . 1.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.14 -43.4 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.13 0.418 . . . . 1.0 112.13 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -42.97 99.84 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.907 -0.717 . . . . 1.0 110.383 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -42.42 90.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.851 0.357 . . . . 1.0 111.077 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -57.42 -48.69 78.45 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 1.2 p -65.75 -40.09 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.187 -0.605 . . . . 1.0 109.955 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.14 -39.2 93.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.207 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.22 98.84 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.26 79.34 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.437 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.67 -44.14 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.97 -41.26 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.37 0.507 . . . . 1.0 112.37 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.6 -41.39 92.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.74 -39.18 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.989 -0.684 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.79 -44.29 94.28 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.236 -1.146 . . . . 1.0 110.236 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.18 -43.78 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.461 -0.496 . . . . 1.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.57 -37.78 79.39 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.974 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.2 97.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.181 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.06 -42.12 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.823 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.12 -39.82 78.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.896 0.379 . . . . 1.0 110.588 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.09 -43.55 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 1.0 109.684 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.754 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -58.16 -47.49 83.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.106 -0.702 . . . . 1.0 109.106 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.09 -44.04 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.474 -178.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.31 -43.4 98.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.707 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.427 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.2 mm? -64.95 -39.6 93.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.439 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.754 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.2 mt -63.02 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.615 -0.434 . . . . 1.0 111.016 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.5 m -61.93 -41.03 97.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.744 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.31 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.648 0.61 . . . . 1.0 112.648 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 64.5 m80 . . . . . 0 CA--C 1.52 -0.189 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.566 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 121.046 0.45 . . . . 1.0 110.053 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.06 -44.69 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 1.0 111.654 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.52 -42.97 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.179 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.62 -44.03 97.3 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.905 0.383 . . . . 1.0 110.332 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -59.12 -47.18 86.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.322 -0.551 . . . . 1.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.11 -44.45 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.3 mtp -62.92 -38.53 91.37 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.675 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.16 99.24 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.335 -0.936 . . . . 1.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.32 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.69 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.31 -44.56 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.69 -42.34 98.01 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.556 -0.458 . . . . 1.0 111.783 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.33 -42.13 98.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.44 -38.83 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.526 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.39 98.21 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.142 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 709' ' ' LEU . 92.5 mt -63.03 -43.65 98.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.63 85.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.08 97.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.2 -40.75 98.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.92 -39.82 79.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.139 0.495 . . . . 1.0 111.505 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.15 -43.15 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.484 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.58 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.34 -48.34 82.0 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -44.0 94.17 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.582 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.975 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.93 -40.91 97.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 1.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.58 HD11 ' NE1' ' A' ' 715' ' ' TRP . 82.8 mt -62.21 -41.64 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.4 m -61.92 -40.09 94.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.223 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.66 -40.39 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 112.134 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.1 m80 . . . . . 0 C--N 1.33 -0.254 0 C-N-CA 119.752 -0.779 . . . . 1.0 109.608 179.769 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 1.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.41 -43.79 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.501 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.18 -43.1 99.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.037 -0.665 . . . . 1.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.89 -43.07 97.13 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.471 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 58.6 m -58.82 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.239 -0.584 . . . . 1.0 109.916 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.74 -46.28 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.5 mtp -62.13 -37.98 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.88 -43.27 99.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.852 -1.299 . . . . 1.0 109.852 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.621 -0.289 . . . . 1.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.36 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.137 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.72 -43.94 95.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.821 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.44 -42.0 98.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.11 -38.59 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.442 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.5 -43.15 96.13 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.517 -1.033 . . . . 1.0 110.517 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.58 -43.91 97.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.179 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.33 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.175 -0.61 . . . . 1.0 110.098 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.82 94.32 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.54 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.81 -43.19 99.46 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.75 0.309 . . . . 1.0 111.298 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.62 -39.64 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.168 0.508 . . . . 1.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.81 -42.86 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 1.0 109.623 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.32 -45.89 87.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.808 -0.812 . . . . 1.0 108.808 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.22 -43.07 92.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.607 -179.403 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.53 -43.85 95.95 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.829 -0.348 . . . . 1.0 111.71 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.9 mp -63.99 -41.41 97.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.482 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.45 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 112.586 0.587 . . . . 1.0 112.586 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.6 m -62.12 -40.31 95.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.71 0.633 . . . . 1.0 112.71 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 29.9 pt -68.13 -22.41 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.897 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 . . . . . 0 N--CA 1.465 0.289 0 C-N-CA 119.943 -0.703 . . . . 1.0 109.761 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 65.9 t . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.209 0.528 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.47 -44.63 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.441 -0.799 . . . . 1.0 112.219 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.98 -43.45 98.82 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.953 -0.699 . . . . 1.0 109.515 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.46 -42.52 98.61 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.5 m -58.69 -45.75 88.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.566 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.12 -44.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.541 -0.463 . . . . 1.0 109.923 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.33 -37.25 84.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.93 96.85 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.571 -1.012 . . . . 1.0 110.571 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.49 82.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 1.0 111.307 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.32 -43.87 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.449 -0.501 . . . . 1.0 110.307 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.031 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.8 -41.65 95.63 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.232 0.456 . . . . 1.0 112.232 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.23 -39.8 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 120.083 -0.647 . . . . 1.0 110.602 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.94 -43.41 96.82 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.252 -0.975 . . . . 1.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.95 -44.25 96.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 1.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.81 85.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.764 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.15 96.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.44 -44.42 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.055 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 717' ' ' LEU . 11.1 mp -69.44 -38.02 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.904 -0.718 . . . . 1.0 110.523 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.022 -0.671 . . . . 1.0 109.808 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.468 ' NE1' HD11 ' A' ' 719' ' ' ILE . 9.6 t90 -55.86 -45.66 78.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.414 -0.958 . . . . 1.0 108.414 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -57.9 -44.15 86.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.317 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 713' ' ' LEU . 9.0 mp -62.68 -42.64 99.74 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.484 -0.486 . . . . 1.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.82 -40.48 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.332 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.468 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -62.33 -42.34 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.61 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 23.0 m -61.99 -40.86 97.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.952 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.83 -42.08 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.635 0.976 . . . . 1.0 113.635 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.2 m80 . . . . . 0 C--N 1.325 -0.458 0 C-N-CA 119.772 -0.771 . . . . 1.0 109.505 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 82.5 t -68.35 -43.0 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 111.781 0.289 . . . . 1.0 111.781 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.38 -44.13 97.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.068 -0.653 . . . . 1.0 110.691 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.74 -42.59 97.83 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.034 0.445 . . . . 1.0 111.052 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.9 m -58.09 -46.79 84.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.017 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.84 -46.72 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.455 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.55 -36.97 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.654 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.95 98.17 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.65 -38.13 74.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.083 0.468 . . . . 1.0 110.269 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 3.8 mm -64.15 -43.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 705' ' ' LEU . 95.9 mt -63.06 -45.49 91.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.521 -0.471 . . . . 1.0 111.429 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.22 -41.68 96.91 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.466 0.913 . . . . 1.0 113.466 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.7 tt -70.06 -40.1 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.206 -0.598 . . . . 1.0 110.515 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.57 99.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.305 -0.95 . . . . 1.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.67 -42.43 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.212 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.24 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.841 -0.743 . . . . 1.0 110.338 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.16 97.07 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.28 -42.67 99.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.355 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.03 -39.11 83.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 1.0 111.114 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.87 -43.73 99.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.042 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.723 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -55.84 -46.35 78.19 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.83 -42.36 93.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.136 -179.17 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.97 -44.93 95.71 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.955 0.354 . . . . 1.0 111.955 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.71 -40.09 94.77 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.751 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.723 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.0 mt -62.4 -42.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.91 0.386 . . . . 1.0 111.682 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -62.54 -40.34 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.571 . . . . 1.0 111.63 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.58 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.0 m80 . . . . . 0 N--CA 1.465 0.306 0 C-N-CA 119.893 -0.723 . . . . 1.0 110.709 -179.26 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 56.2 t . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 1.0 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.29 -43.82 87.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.302 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.51 -44.28 96.19 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.702 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -44.01 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.982 0.42 . . . . 1.0 110.709 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.4 m -58.13 -45.61 87.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.618 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.64 -46.64 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 82.0 mtp -61.42 -38.52 87.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.433 -0.803 . . . . 1.0 111.727 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.53 96.59 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.64 75.6 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.465 0.542 . . . . 1.0 112.465 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.27 -42.78 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.561 -0.856 . . . . 1.0 110.633 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.85 -43.3 96.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.292 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.05 -41.6 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.39 -36.58 55.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 119.859 -0.736 . . . . 1.0 110.409 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.66 -43.0 94.55 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.33 -43.98 97.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 1.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.16 -36.63 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.69 94.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.667 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -42.16 99.3 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.669 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.25 -38.96 82.34 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.731 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.243 -0.583 . . . . 1.0 109.655 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -57.95 -47.59 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.14 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.008 -179.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.39 -44.38 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.003 -0.279 . . . . 1.0 111.3 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.34 -40.91 96.81 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.453 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.22 -42.17 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.878 -0.329 . . . . 1.0 111.723 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 73.3 m -62.64 -41.9 99.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 1.0 110.911 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.18 -40.97 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 1.0 112.45 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.7 m80 . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 119.24 -0.984 . . . . 1.0 108.994 179.542 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.739 0.304 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.2 -42.94 88.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.283 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.11 -44.43 96.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.4 mt -64.6 -42.03 95.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.96 0.409 . . . . 1.0 110.931 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 66.3 m -58.11 -46.23 85.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.859 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.34 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.32 -45.79 95.74 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.25 -1.14 . . . . 1.0 110.25 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.11 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.91 -43.57 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.591 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.97 -43.7 94.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.25 -40.23 93.73 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.496 0.554 . . . . 1.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 5.0 tt -70.79 -39.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.915 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.65 -44.2 97.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.594 -1.002 . . . . 1.0 110.594 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 709' ' ' LEU . 85.6 mt -62.76 -42.77 99.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.172 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.92 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.95 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.336 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 712' ' ' LEU . 96.9 mt -63.87 -40.72 97.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.007 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -41.09 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 1.0 111.649 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.91 -42.9 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.192 -0.603 . . . . 1.0 109.966 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.631 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.1 t90 -54.49 -45.39 73.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.625 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -58.68 -43.23 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.823 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.646 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 718' ' ' LEU . 11.0 mp -66.69 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.071 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.631 HD11 ' NE1' ' A' ' 715' ' ' TRP . 97.5 mt -61.69 -41.52 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 C-N-CA 120.114 -0.635 . . . . 1.0 110.283 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.7 m -63.95 -42.87 97.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.797 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 718' ' ' LEU . 3.5 tt -66.32 -32.16 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.361 0.504 . . . . 1.0 112.361 -177.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 119.6 -0.84 . . . . 1.0 109.464 179.143 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 696' ' ' VAL . 1.4 m . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.681 0.277 . . . . 1.0 110.681 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . 0.431 ' N ' ' CG2' ' A' ' 695' ' ' VAL . 74.8 t -67.91 -43.05 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.284 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.13 -44.05 97.93 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.944 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -42.85 95.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 74.7 m -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.0 -0.68 . . . . 1.0 110.393 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.71 -46.18 95.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.617 -0.433 . . . . 1.0 109.969 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -61.53 -39.11 89.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.081 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.39 99.3 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.729 -0.948 . . . . 1.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.9 90.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.441 -0.379 . . . . 1.0 111.803 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -43.86 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.695 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.56 -42.9 95.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.324 0.49 . . . . 1.0 112.324 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.54 -42.04 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.862 0.69 . . . . 1.0 112.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.0 tt -71.8 -38.65 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.549 -0.461 . . . . 1.0 111.01 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.64 -42.82 91.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.846 -1.302 . . . . 1.0 109.846 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.85 -43.56 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.58 90.35 Favored 'General case' 0 N--CA 1.461 0.085 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.444 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.16 -42.2 99.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.374 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.5 mt -68.09 -40.1 82.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.252 0.549 . . . . 1.0 110.585 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.28 -43.88 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.122 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.585 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -58.02 -47.05 84.23 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.748 -0.834 . . . . 1.0 108.748 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -60.72 -42.84 98.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.041 -178.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 717' ' ' LEU . 55.1 mt -61.72 -43.1 99.5 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.32 -41.54 98.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.757 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.585 HD11 ' NE1' ' A' ' 715' ' ' TRP . 91.8 mt -63.22 -41.55 93.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.3 m -62.94 -42.22 99.74 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.193 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.91 -42.06 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.754 0.65 . . . . 1.0 112.754 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 55.2 m80 . . . . . 0 C--N 1.326 -0.419 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.224 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.13 -43.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.625 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.89 -44.13 94.39 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.924 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.019 0.438 . . . . 1.0 110.63 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.4 m -58.11 -48.11 81.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.813 -0.631 . . . . 1.0 111.805 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.04 -41.14 91.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.274 -0.57 . . . . 1.0 109.801 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.9 -39.37 91.75 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.763 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.14 -43.5 99.33 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.11 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.585 -0.307 . . . . 1.0 110.961 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.4 -45.98 88.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.69 -0.404 . . . . 1.0 111.536 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.22 -41.56 96.98 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.71 -40.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.041 -0.664 . . . . 1.0 110.578 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.54 -42.56 94.08 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 709' ' ' LEU . 39.3 mt -63.9 -42.5 97.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 1.0 110.51 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.54 83.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.525 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.53 94.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.828 . . . . 1.0 109.849 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.393 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.22 -39.61 75.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.471 . . . . 1.0 111.321 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.66 -43.08 96.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.242 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.589 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -54.76 -46.2 74.31 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.67 -178.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.13 -43.62 98.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.961 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.86 -38.86 92.4 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.268 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.589 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.4 mt -62.42 -41.15 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.094 0.473 . . . . 1.0 110.648 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.6 m -63.11 -42.16 99.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.412 -0.813 . . . . 1.0 111.045 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.75 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 . . . . . 0 C--N 1.325 -0.47 0 C-N-CA 119.234 -0.986 . . . . 1.0 109.334 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.91 -42.58 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.56 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.78 -44.01 94.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.91 -42.68 99.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 1.0 110.527 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 55.8 m -58.03 -46.9 84.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.516 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.71 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.082 0.468 . . . . 1.0 110.176 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.0 mtp -62.6 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.877 -0.602 . . . . 1.0 111.43 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.95 98.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.51 80.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.525 -0.338 . . . . 1.0 111.104 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 32.4 mm -64.44 -44.39 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.37 -42.46 92.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.057 0.391 . . . . 1.0 112.057 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.93 -41.44 95.53 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.47 0.545 . . . . 1.0 112.47 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.81 -40.54 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 120.194 -0.603 . . . . 1.0 111.196 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.28 97.13 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.15 -1.024 . . . . 1.0 110.802 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.47 -44.91 93.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.398 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.22 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.35 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.396 -0.82 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.27 -42.64 98.98 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 713' ' ' LEU . 4.2 mm? -67.61 -38.68 84.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.597 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.96 -45.03 99.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.317 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.422 ' NE1' HD11 ' A' ' 719' ' ' ILE . 8.8 t90 -58.62 -45.13 89.89 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.939 -0.763 . . . . 1.0 108.939 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -44.8 86.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.623 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.2 -42.85 99.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.561 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.475 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 90.6 mt -64.04 -43.3 95.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.348 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.422 HD11 ' NE1' ' A' ' 715' ' ' TRP . 79.3 mt -63.65 -41.88 94.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.037 0.446 . . . . 1.0 111.514 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.7 m -61.06 -43.11 99.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.228 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.7 -39.45 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.832 0.679 . . . . 1.0 112.832 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.4 m80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.27 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 120.925 0.393 . . . . 1.0 110.688 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 85.1 t -68.77 -42.73 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.87 -42.3 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.67 -41.76 95.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.7 m -58.26 -47.89 82.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.697 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.49 -41.7 93.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 120.053 -0.659 . . . . 1.0 109.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.58 -38.83 91.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.685 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.94 98.54 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.363 -1.095 . . . . 1.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.191 -0.504 . . . . 1.0 110.781 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.02 -44.82 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.72 -44.95 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.722 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.46 -41.48 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.97 0.729 . . . . 1.0 112.97 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -70.77 -39.1 75.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.118 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 712' ' ' LEU . . . -59.33 -44.19 96.74 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.385 -0.526 . . . . 1.0 109.697 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.21 80.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.798 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.63 88.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.861 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 708' ' ' GLY . 9.5 mp -63.38 -40.88 98.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.118 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.0 mt -66.6 -41.1 88.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.213 0.53 . . . . 1.0 110.826 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.7 mm -63.09 -43.62 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.347 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -58.71 -48.31 81.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.588 -0.893 . . . . 1.0 108.588 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.853 -179.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.57 -42.46 98.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.634 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.39 -41.2 96.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.775 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.82 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 1.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 87.1 m -62.77 -42.18 99.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.264 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.7 -41.38 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 C--N 1.326 -0.451 0 C-N-CA 119.494 -0.882 . . . . 1.0 109.8 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 696' ' ' VAL . 11.9 p . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.436 0.16 . . . . 1.0 111.274 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . 0.404 ' N ' HG13 ' A' ' 695' ' ' VAL . 80.4 t -67.99 -44.62 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 111.904 0.335 . . . . 1.0 111.904 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.28 -46.25 89.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.93 -42.4 94.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.187 -0.205 . . . . 1.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 71.4 m -59.03 -45.76 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.456 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.25 -45.22 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.025 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.2 mtp -60.99 -38.19 85.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.563 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.96 98.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.486 -1.045 . . . . 1.0 110.486 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.302 . . . . 1.0 111.351 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.831 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.6 -41.76 96.0 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.104 0.409 . . . . 1.0 112.104 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.22 -41.37 99.12 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.81 -36.64 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.874 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.1 94.69 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.426 -0.892 . . . . 1.0 111.342 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.72 -42.8 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.32 -0.552 . . . . 1.0 110.326 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.83 95.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.143 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.55 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.583 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.93 -40.49 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 1.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.28 -42.54 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.553 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . 0.69 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.2 t90 -56.63 -46.82 80.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.21 -44.68 92.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.197 -178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.72 -43.07 99.75 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.108 -0.637 . . . . 1.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.404 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 93.0 mt -63.89 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.261 -0.576 . . . . 1.0 110.48 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . 0.69 HD11 ' NE1' ' A' ' 715' ' ' TRP . 94.5 mt -62.16 -41.89 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.95 0.405 . . . . 1.0 111.395 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.1 m -61.83 -41.9 98.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.062 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 27.9 mm -63.94 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.788 0.662 . . . . 1.0 112.788 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 63.2 m80 . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.061 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 N--CA 1.459 0.016 0 CA-C-O 120.534 0.206 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.72 -46.57 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.55 0.574 . . . . 1.0 112.55 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.13 -43.0 99.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.754 -0.778 . . . . 1.0 110.846 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.69 -44.23 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.663 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.2 m -59.28 -44.25 92.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.269 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.74 -45.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.522 -0.547 . . . . 1.0 109.522 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.72 -39.95 95.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.83 0.347 . . . . 1.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.98 -43.2 99.73 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.375 -1.49 . . . . 1.0 109.375 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.39 76.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.352 -0.424 . . . . 1.0 110.58 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.86 -44.48 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.013 0.435 . . . . 1.0 110.22 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -44.52 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.836 -178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.743 0.646 . . . . 1.0 112.743 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.02 -38.36 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.733 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.3 -42.64 99.19 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.215 -0.993 . . . . 1.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.96 -43.07 99.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.437 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.14 81.3 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.933 -0.707 . . . . 1.0 109.703 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.29 96.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 1.0 110.135 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.76 -43.06 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.325 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.7 -40.01 80.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.588 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.96 -43.53 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.677 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.21 -49.03 79.25 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -60.49 -39.98 89.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.908 -178.575 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.37 -43.48 98.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.363 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 718' ' ' LEU . . . . . 0.503 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.9 mt -64.08 -43.8 94.34 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.667 -0.413 . . . . 1.0 111.222 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.93 -41.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -62.12 -41.73 98.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.042 0.449 . . . . 1.0 110.453 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.43 -38.71 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 112.255 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 722' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 48.3 m80 . . . . . 0 N--CA 1.465 0.293 0 C-N-CA 119.689 -0.804 . . . . 1.0 110.402 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.834 ' C ' ' H ' ' A' ' 687' ' ' SER . 5.7 Cg_endo . . . . . 0 N--CA 1.492 1.412 0 N-CA-C 108.505 -1.383 . . . . 13.37 108.505 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 685' ' ' PRO . 74.0 mt-10 71.01 -26.65 0.17 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 123.244 1.497 . . . . 13.15 107.152 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.834 ' H ' ' C ' ' A' ' 685' ' ' PRO . 1.2 p -121.76 64.32 16.8 Favored Pre-proline 0 N--CA 1.405 -2.694 0 N-CA-C 101.161 -3.644 . . . . 9.68 101.161 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 690' ' ' GLY . 7.4 Cg_endo -50.07 -18.86 3.51 Favored 'Trans proline' 0 CA--C 1.49 -1.709 0 N-CA-C 104.286 -3.005 . . . . 9.19 104.286 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 691' ' ' PRO . 0.2 OUTLIER 43.55 -100.81 0.04 OUTLIER 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 111.134 -2.757 . . . . 9.61 105.289 178.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . 0.731 ' H ' ' HZ1' ' A' ' 689' ' ' LYS . . . -2.68 63.46 0.0 OUTLIER Glycine 0 C--N 1.362 2.023 0 N-CA-C 107.719 -2.153 . . . . 5.17 107.719 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . 0.833 ' N ' ' O ' ' A' ' 689' ' ' LYS . 1.0 OUTLIER -80.43 -66.16 0.02 OUTLIER 'Trans proline' 1 CA--C 1.443 -4.074 1 N-CA-C 100.328 -4.528 . . . . 5.3 100.328 -174.796 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . 0.538 ' H ' ' CD ' ' A' ' 691' ' ' PRO . 97.2 m-20 54.6 23.12 4.43 Favored 'General case' 0 N--CA 1.386 -3.64 0 CA-C-N 109.362 -3.563 . . . . 2.75 108.392 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.522 HG22 HD12 ' A' ' 697' ' ' LEU . 56.5 mt -68.27 -49.92 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.036 1 N-CA-C 99.169 -4.382 . . . . 1.49 99.169 172.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.02 -47.9 83.54 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 113.48 -1.691 . . . . 1.37 109.998 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.55 -43.49 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.335 0.971 . . . . 1.05 109.849 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 692' ' ' ASP . 72.5 t -71.24 -43.5 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.473 0 N-CA-C 109.86 -0.422 . . . . 0.23 109.86 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.522 HD12 HG22 ' A' ' 693' ' ' ILE . 16.4 mt -61.25 -46.23 91.23 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 117.936 -1.506 . . . . 1.71 107.85 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.62 -46.13 89.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.786 0.327 . . . . 0.84 110.132 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 39.2 m -60.73 -47.37 86.58 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 119.458 -0.897 . . . . 0.19 109.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.08 -46.53 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 108.538 -0.912 . . . . 0.84 108.538 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.2 mtp -62.05 -37.56 85.41 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.214 -0.595 . . . . 0.31 110.732 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.9 93.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.393 -1.083 . . . . 0.17 110.393 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.37 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.731 -0.734 . . . . 0.17 110.669 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.41 -44.08 98.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.552 -0.749 . . . . 1.06 110.19 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.85 -43.22 93.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.359 -0.536 . . . . 1.67 112.199 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 63.5 mt -64.77 -41.09 96.12 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.126 0.788 . . . . 1.28 113.126 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -71.68 -40.19 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 119.969 -0.692 . . . . 0.75 110.065 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.61 89.26 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 119.098 -1.525 . . . . 0.13 110.602 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.35 -44.23 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.307 -0.557 . . . . 1.79 110.697 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.75 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.842 -0.743 . . . . 0.15 109.708 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.42 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.352 -0.84 . . . . 0.18 110.367 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.518 -0.31 . . . . 1.79 110.989 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.62 -41.89 75.06 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.452 -0.499 . . . . 1.21 111.491 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.61 -42.8 95.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 119.946 -0.702 . . . . 1.08 110.103 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.461 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -56.71 -46.9 80.98 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.846 -1.168 . . . . 0.31 107.846 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -61.36 -43.19 99.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.288 -0.415 . . . . 0.77 111.188 -178.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 tp -61.83 -42.84 99.53 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.553 -0.459 . . . . 1.74 111.119 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.38 -38.91 85.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 110.077 -0.342 . . . . 1.31 110.077 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.461 HD11 ' NE1' ' A' ' 715' ' ' TRP . 80.5 mt -60.82 -40.12 84.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.681 -0.808 . . . . 1.04 110.403 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.1 m -61.56 -41.73 97.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.062 -0.972 . . . . 0.25 109.388 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.7 mt -70.01 -40.96 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 113.554 0.946 . . . . 1.36 113.554 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -58.52 -57.79 11.4 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 107.175 -1.417 . . . . 0.36 107.175 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.498 ' O ' ' O ' ' A' ' 724' ' ' ARG . 29.5 t70 -86.82 83.29 7.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.312 -0.996 . . . . 2.33 108.312 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . 0.618 ' O ' ' CG ' ' A' ' 725' ' ' LYS . 50.5 mtm180 -62.0 -116.75 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 107.309 -1.367 . . . . 6.58 107.309 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . 0.618 ' CG ' ' O ' ' A' ' 724' ' ' ARG . 0.0 OUTLIER 98.9 -14.11 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.761 0.663 . . . . 7.52 111.365 178.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.28 79.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 109.778 -0.452 . . . . 8.45 109.778 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 725' ' ' LYS . 46.0 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.308 -0.853 . . . . 10.68 111.011 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.482 0.803 0 N-CA-C 109.566 -0.975 . . . . 1.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -122.09 128.53 51.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.613 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.5 p -178.48 74.43 0.21 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.639 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -55.52 -37.36 95.09 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.594 2.196 . . . . 1.0 111.85 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.5 -40.23 96.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.476 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 48.26 71.67 0.55 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . 0.445 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 17.6 Cg_exo -63.18 143.47 89.96 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.092 2.528 . . . . 1.0 112.295 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 97.6 m-20 -139.75 -54.36 0.55 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.23 -42.72 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.28 -39.98 88.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.76 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.86 -43.45 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.281 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.61 -42.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.911 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.26 -43.72 98.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.881 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.91 -42.8 94.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.552 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 69.9 m -59.65 -45.3 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.226 -0.59 . . . . 1.0 110.503 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.64 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.29 -37.23 86.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.19 -44.18 98.08 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.421 -1.071 . . . . 1.0 110.421 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.78 82.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.735 0.303 . . . . 1.0 110.958 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.3 -43.49 98.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.342 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.15 -43.86 93.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.932 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.55 -41.68 92.72 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.005 0.742 . . . . 1.0 113.005 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.6 tt -71.68 -38.91 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.098 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.28 96.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.61 -43.6 98.39 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.73 -0.47 . . . . 1.0 109.73 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.11 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.42 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.43 -42.51 99.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.822 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 713' ' ' LEU . 89.9 mt -67.05 -39.83 86.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.479 -0.328 . . . . 1.0 111.581 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.58 -43.74 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.514 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.747 ' NE1' HD11 ' A' ' 719' ' ' ILE . 11.2 t90 -57.55 -47.12 82.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.74 -43.44 94.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.555 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.81 -41.85 98.28 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.445 -0.502 . . . . 1.0 109.991 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.582 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 92.5 mt -62.7 -43.45 98.77 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.926 -0.398 . . . . 1.0 109.926 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.747 HD11 ' NE1' ' A' ' 715' ' ' TRP . 92.4 mt -63.49 -42.24 95.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 12.6 m -63.14 -42.19 99.43 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 42.0 pt -68.89 -26.51 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.371 -0.532 . . . . 1.0 112.4 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.582 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 51.7 m80 -56.49 -46.04 80.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 119.539 -0.864 . . . . 1.0 110.153 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -105.24 103.15 12.63 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -82.87 151.78 25.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.938 0.399 . . . . 1.0 111.148 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.5 -41.23 96.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.758 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -136.87 161.54 35.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.885 -1.055 . . . . 1.0 110.788 -179.822 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 N--CA 1.487 1.147 0 N-CA-C 109.526 -0.99 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -116.83 127.86 54.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.971 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.02 79.69 0.37 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.606 -0.725 . . . . 1.0 109.995 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.34 146.37 96.73 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.605 2.87 . . . . 1.0 112.872 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.9 128.19 28.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 177.68 160.08 23.69 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.735 -0.946 . . . . 1.0 110.735 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -60.55 141.26 94.86 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.284 1.989 . . . . 1.0 112.448 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 694' ' ' LEU . 78.9 m-20 -68.88 133.97 48.97 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.473 -0.565 . . . . 1.0 109.473 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 99.1 mt -50.84 -21.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.063 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 692' ' ' ASP . 84.8 mt -61.73 -42.09 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.896 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.02 -41.04 91.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.215 -0.594 . . . . 1.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.6 t -68.24 -45.08 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 111.954 0.353 . . . . 1.0 111.954 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.08 -44.43 96.68 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.856 -0.738 . . . . 1.0 109.966 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.19 -41.59 97.03 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.751 -0.38 . . . . 1.0 110.505 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.8 m -58.61 -46.27 87.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.86 -45.61 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.7 mtp -63.15 -40.68 98.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.078 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.25 -43.62 95.39 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.332 -1.107 . . . . 1.0 110.332 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.5 -40.36 78.48 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.726 -0.39 . . . . 1.0 110.901 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.6 -43.87 98.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.268 -0.573 . . . . 1.0 111.552 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.34 -42.56 98.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.886 -0.726 . . . . 1.0 111.083 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.19 -41.8 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.916 0.71 . . . . 1.0 112.916 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 708' ' ' GLY . 14.5 tt -70.66 -41.48 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 119.917 -0.713 . . . . 1.0 109.901 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 707' ' ' ILE . . . -58.69 -43.41 96.33 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.37 -1.092 . . . . 1.0 110.37 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.52 -44.42 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.288 -0.565 . . . . 1.0 109.858 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.87 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.237 -0.585 . . . . 1.0 110.085 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.19 96.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.667 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.91 -43.69 98.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.617 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 713' ' ' LEU . 9.9 mp -68.73 -41.3 79.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 1.0 111.257 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.9 mt -62.9 -44.61 99.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.905 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.688 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -61.39 -47.55 85.3 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.018 -0.734 . . . . 1.0 109.018 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.15 -42.65 95.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.607 0.242 . . . . 1.0 111.331 -178.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.74 -42.3 99.6 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.33 -0.548 . . . . 1.0 111.098 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.83 -41.9 97.75 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.688 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.2 mt -62.31 -42.33 95.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.0 0.428 . . . . 1.0 111.481 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 22.9 m -60.72 -41.96 96.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.593 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.18 -40.33 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.642 0.608 . . . . 1.0 112.642 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -54.15 -48.58 70.7 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.53 -0.868 . . . . 1.0 109.779 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -105.07 115.1 29.7 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.839 0.352 . . . . 1.0 110.588 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.2 -41.54 98.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -92.81 138.25 31.65 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.094 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.72 -43.26 97.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.336 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 76.0 t80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.617 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.483 0.901 0 N-CA-C 109.465 -1.013 . . . . 1.0 109.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -139.73 151.79 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.788 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 58.3 159.03 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.092 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 147.26 62.67 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.498 2.132 . . . . 1.0 112.71 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -82.73 146.77 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.73 79.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -59.16 144.69 99.28 Favored 'Trans proline' 0 C--N 1.302 -1.882 0 C-N-CA 122.189 1.926 . . . . 1.0 111.529 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 57.09 33.38 23.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.216 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 694' ' ' LEU . 20.1 tt -67.69 -41.09 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.513 ' N ' HG23 ' A' ' 693' ' ' ILE . 81.3 mt -60.71 -41.1 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.813 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.49 -42.85 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.4 -44.31 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.48 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.41 -43.76 98.06 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.951 -0.7 . . . . 1.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.59 -44.08 95.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.919 0.39 . . . . 1.0 110.921 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 53.7 m -59.2 -44.98 92.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.179 -0.609 . . . . 1.0 110.256 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.76 -45.7 98.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.288 -0.634 . . . . 1.0 109.288 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.49 -39.56 93.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.195 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.77 -43.61 98.7 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.551 -1.02 . . . . 1.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.07 87.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.63 0.252 . . . . 1.0 111.074 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.07 -44.02 99.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.657 -0.417 . . . . 1.0 110.219 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.72 -43.22 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.159 0.429 . . . . 1.0 112.159 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.91 -41.42 97.68 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.082 0.771 . . . . 1.0 113.082 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.13 -36.55 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.036 -0.666 . . . . 1.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.84 89.92 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.213 -0.994 . . . . 1.0 111.102 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.2 -42.81 96.46 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.343 -0.543 . . . . 1.0 110.882 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.67 86.17 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.237 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.67 95.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.57 -42.68 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.443 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.41 -40.89 89.87 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.253 0.549 . . . . 1.0 111.034 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.71 -43.83 98.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.74 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.663 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.821 -0.807 . . . . 1.0 108.821 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.95 91.43 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.14 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.26 -41.81 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.657 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 718' ' ' LEU . 92.9 mt -64.92 -40.4 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.765 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.663 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.94 -41.37 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 1.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.2 m -61.92 -41.52 98.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.003 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -41.14 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 113.104 0.779 . . . . 1.0 113.104 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 723' ' ' ASP . 63.5 m80 -53.25 -45.81 68.92 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.824 -0.751 . . . . 1.0 110.116 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 722' ' ' HIS . 96.1 m-20 -18.64 121.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.103 0.877 . . . . 1.0 112.615 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -88.12 140.02 29.91 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.32 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.25 -46.62 87.99 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.682 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -78.6 138.2 38.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.667 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 83.5 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.433 179.552 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo . . . . . 0 N--CA 1.485 0.984 0 N-CA-C 110.003 -0.806 . . . . 1.0 110.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -43.7 81.04 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.64 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 67.8 m -137.41 71.19 53.22 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-O 120.843 0.354 . . . . 1.0 110.623 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.45 -38.19 73.82 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 123.027 2.485 . . . . 1.0 112.433 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.26 -40.07 96.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.63 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 142.74 168.21 11.77 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.7 -1.36 . . . . 1.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.95 148.96 58.49 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.289 1.993 . . . . 1.0 112.093 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 55.7 31.63 17.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.658 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 694' ' ' LEU . 10.7 tp -65.6 -40.11 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.145 -1.058 . . . . 1.0 108.145 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.473 ' N ' HG23 ' A' ' 693' ' ' ILE . 82.7 mt -61.59 -41.63 97.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.789 -0.642 . . . . 1.0 111.059 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.29 -44.08 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.98 -42.45 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.284 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.36 -44.99 92.63 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 119.985 -0.686 . . . . 1.0 109.449 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 698' ' ' LEU . 82.2 mt -63.34 -42.79 98.96 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.606 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 50.0 m -59.57 -44.77 93.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.488 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.65 -44.42 98.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.993 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.98 -37.95 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.61 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.38 99.28 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.0 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.938 -0.305 . . . . 1.0 110.949 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.13 -43.84 99.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.915 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.99 -44.6 92.18 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.55 -41.37 96.38 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.2 tt -71.14 -40.2 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.552 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -60.04 -44.25 97.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.601 -1.0 . . . . 1.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.81 -43.66 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.941 -0.763 . . . . 1.0 108.941 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.88 -42.1 88.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.518 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.18 96.54 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.449 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.22 -42.16 99.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.723 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.07 -39.94 82.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 1.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.79 -44.23 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.692 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.12 -48.24 82.32 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.111 -0.7 . . . . 1.0 109.111 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -43.84 88.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.137 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.93 -43.38 98.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.084 -0.246 . . . . 1.0 111.344 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 1.0 110.695 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.692 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -63.37 -42.25 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.042 0.448 . . . . 1.0 111.313 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 75.8 m -62.17 -41.94 98.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.301 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.23 -42.03 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -54.07 -46.84 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.416 -0.914 . . . . 1.0 109.517 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 723' ' ' ASP . 22.5 p-10 -104.62 106.68 17.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.43 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.93 -39.4 90.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.955 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.49 -44.22 97.47 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.521 -0.471 . . . . 1.0 110.517 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 55.79 74.5 0.38 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.432 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 69.7 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.61 -179.799 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.479 0.626 0 N-CA-C 108.792 -1.272 . . . . 1.0 108.792 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -68.28 -36.49 79.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.566 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 24.2 m 42.68 75.32 0.64 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.241 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 690' ' ' GLY . 22.8 Cg_exo -60.65 143.56 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.304 2.003 . . . . 1.0 111.883 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 688' ' ' PRO . 98.9 mttt 35.77 -93.48 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.239 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 688' ' ' PRO . . . -122.12 -170.42 13.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.132 -0.787 . . . . 1.0 111.132 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -60.94 140.69 91.57 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.751 2.301 . . . . 1.0 111.848 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -140.43 -48.04 0.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.479 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.08 -42.47 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.82 -0.808 . . . . 1.0 108.82 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.92 -41.29 95.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.709 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.02 -43.54 99.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.678 0.275 . . . . 1.0 110.941 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 81.8 t -68.64 -44.16 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.723 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.1 -42.72 99.04 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.669 -0.812 . . . . 1.0 109.535 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.8 mt -64.2 -42.03 96.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.34 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 56.5 m -59.88 -45.9 91.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.505 -0.478 . . . . 1.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 -44.48 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.59 -37.71 84.89 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -44.11 98.58 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.115 -1.194 . . . . 1.0 110.115 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.5 -39.03 78.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.49 -0.355 . . . . 1.0 110.61 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.25 -43.86 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.698 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.6 -46.2 89.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.153 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.54 -41.01 93.51 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.639 0.977 . . . . 1.0 113.639 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.42 -40.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.554 -0.858 . . . . 1.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.36 98.17 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.194 -1.162 . . . . 1.0 110.194 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 45.6 mt -62.4 -43.89 97.74 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.173 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.83 75.88 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.602 -0.518 . . . . 1.0 109.602 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 1.0 110.137 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.95 -43.03 99.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.492 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.36 -40.05 74.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.596 0.591 . . . . 1.0 112.596 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.47 -41.35 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 119.59 -0.844 . . . . 1.0 109.93 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.9 t90 -59.72 -46.03 90.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.537 -0.912 . . . . 1.0 108.537 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.12 -43.43 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.853 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.72 -44.46 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.97 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.93 -38.66 91.7 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.5 -0.48 . . . . 1.0 111.274 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.732 HD11 ' NE1' ' A' ' 715' ' ' TRP . 81.9 mt -62.69 -41.81 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.044 0.45 . . . . 1.0 111.174 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 10.7 m -62.74 -41.85 99.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.893 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.99 -41.81 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 113.159 0.799 . . . . 1.0 113.159 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -54.85 -46.13 74.61 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.059 -1.057 . . . . 1.0 109.735 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -100.37 111.53 23.81 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.781 0.324 . . . . 1.0 110.656 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.16 -35.95 82.46 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.816 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -61.4 -43.03 99.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.039 -0.265 . . . . 1.0 111.433 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 138.22 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.694 -0.403 . . . . 1.0 110.656 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 54.3 p90 . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.75 -179.492 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 686' ' ' GLU . 9.4 Cg_endo . . . . . 0 N--CA 1.482 0.845 0 N-CA-C 109.493 -1.003 . . . . 1.0 109.493 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 685' ' ' PRO . 96.7 mt-10 57.17 131.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.9 -0.591 . . . . 1.0 111.617 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 1.3 p -159.98 72.11 3.13 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.494 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -54.52 -41.47 76.79 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.612 2.208 . . . . 1.0 111.329 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -109.51 128.42 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.043 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -60.66 171.07 7.27 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.155 -0.778 . . . . 1.0 111.155 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.91 154.71 53.41 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.009 2.472 . . . . 1.0 111.733 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.12 139.92 57.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 1.0 110.952 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.35 -42.36 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 108.61 -0.885 . . . . 1.0 108.61 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 694' ' ' LEU . 10.9 mp -61.71 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.701 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.59 -43.3 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.39 . . . . 1.0 110.634 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 700' ' ' VAL . 76.7 t -67.09 -42.81 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.408 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.98 -43.56 98.63 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.387 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.66 -43.82 95.6 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.835 0.35 . . . . 1.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.5 m -58.89 -43.71 91.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.908 -0.717 . . . . 1.0 109.679 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 696' ' ' VAL . 92.2 t -63.09 -47.15 93.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.51 -0.552 . . . . 1.0 109.51 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.0 mtp -62.05 -39.32 91.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.825 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.11 -43.33 99.56 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 109.845 -1.302 . . . . 1.0 109.845 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.25 87.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.301 -0.45 . . . . 1.0 111.459 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.53 -43.84 98.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.293 -0.563 . . . . 1.0 110.631 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.0 -42.0 97.31 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.739 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.99 -42.37 97.23 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.87 0.693 . . . . 1.0 112.87 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 16.4 tt -71.52 -38.43 67.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.565 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.13 97.0 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.655 -0.978 . . . . 1.0 110.655 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.99 -43.89 97.88 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.011 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.3 71.63 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.235 -0.586 . . . . 1.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.09 -42.46 99.24 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.445 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.35 -40.52 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 1.0 111.695 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.435 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.687 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -60.93 -47.51 86.09 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.47 -43.76 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.741 -178.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.78 -42.68 99.3 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.784 -0.367 . . . . 1.0 110.65 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.449 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 96.3 mt -64.91 -41.87 95.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.703 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.687 HD11 ' NE1' ' A' ' 715' ' ' TRP . 86.4 mt -62.83 -42.16 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.378 . . . . 1.0 111.671 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 723' ' ' ASP . 79.5 m -62.84 -41.12 99.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.9 -40.8 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.662 0.616 . . . . 1.0 112.662 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 62.8 m80 -54.22 -46.97 72.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.297 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 720' ' ' THR . 93.2 m-20 -98.49 114.59 27.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.168 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.57 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.738 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -106.74 137.75 44.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.912 0.387 . . . . 1.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.97 -37.24 85.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.627 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 727' ' ' PHE . 51.3 p90 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.096 -0.954 . . . . 1.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo . . . . . 0 N--CA 1.487 1.097 0 N-CA-C 109.41 -1.034 . . . . 1.0 109.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.41 134.06 45.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.987 0.423 . . . . 1.0 110.281 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 8.5 t -142.62 73.39 19.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.163 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.56 -28.4 64.76 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 C-N-CA 122.59 2.193 . . . . 1.0 111.776 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -108.42 144.52 35.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 153.97 75.72 0.02 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -53.11 -39.74 79.12 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.48 2.12 . . . . 1.0 112.549 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -81.08 95.54 6.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.342 0.592 . . . . 1.0 111.275 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.73 -42.03 93.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.852 . . . . 1.0 109.374 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.436 ' O ' HD13 ' A' ' 698' ' ' LEU . 90.2 mt -60.79 -41.78 96.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.713 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.65 -43.84 97.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.796 0.331 . . . . 1.0 110.62 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.75 -44.36 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 112.176 0.435 . . . . 1.0 112.176 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 697' ' ' LEU . 84.1 mt -61.93 -43.38 98.95 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 119.579 -0.848 . . . . 1.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 694' ' ' LEU . 8.7 mp -63.84 -41.52 97.8 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.431 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 47.4 m -58.63 -45.33 89.47 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.105 -0.638 . . . . 1.0 110.091 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.76 -45.75 94.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.7 mtp -61.35 -39.04 89.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.061 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.16 -44.93 97.04 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.66 85.84 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 120.826 -0.35 . . . . 1.0 110.614 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.02 -44.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.75 -43.68 98.16 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.429 -0.508 . . . . 1.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.94 -42.06 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.031 0.752 . . . . 1.0 113.031 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 1.6 tp -70.93 -38.06 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.144 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.59 -44.46 97.92 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.221 -1.152 . . . . 1.0 110.221 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.37 -42.51 98.88 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.371 -0.532 . . . . 1.0 109.62 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.52 85.1 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.68 96.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.691 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.18 -41.73 99.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.214 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.41 -40.31 81.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 1.0 111.201 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.9 mm -64.05 -43.72 97.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.985 -0.552 . . . . 1.0 109.749 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.424 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -56.57 -45.86 81.06 Favored 'General case' 0 C--N 1.335 -0.043 0 N-CA-C 108.633 -0.877 . . . . 1.0 108.633 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.52 -43.73 93.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.865 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.58 -42.32 98.68 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.222 -0.591 . . . . 1.0 111.133 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.483 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 95.4 mt -63.54 -42.18 98.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.424 HD11 ' NE1' ' A' ' 715' ' ' TRP . 93.7 mt -62.08 -42.28 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 1.0 111.455 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -40.41 97.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.257 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.51 -38.55 81.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.4 m80 -52.44 -45.31 65.95 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.707 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 722' ' ' HIS . 90.6 m-20 -19.33 95.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.779 0.675 . . . . 1.0 112.378 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.34 -38.9 88.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.45 -46.47 89.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.657 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.68 -40.65 97.33 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.454 -0.498 . . . . 1.0 109.988 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.936 -1.03 . . . . 1.0 110.6 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo . . . . . 0 N--CA 1.481 0.791 0 N-CA-C 109.47 -1.012 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.06 -36.03 79.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 1.0 110.499 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 57.0 p -136.13 79.84 42.78 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.769 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.64 156.8 31.93 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.421 2.081 . . . . 1.0 112.591 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.752 -0.379 . . . . 1.0 110.954 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -168.79 -165.06 25.56 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.3 145.42 98.42 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.668 2.245 . . . . 1.0 112.231 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -106.25 -16.26 14.63 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.403 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.64 -42.5 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.153 0.501 . . . . 1.0 109.72 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.59 -42.69 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.454 -0.794 . . . . 1.0 111.833 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.06 -43.37 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.912 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.14 -43.4 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.13 0.418 . . . . 1.0 112.13 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.41 -42.97 99.84 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 119.907 -0.717 . . . . 1.0 110.383 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.82 -42.42 90.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.851 0.357 . . . . 1.0 111.077 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -57.42 -48.69 78.45 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.241 0.46 . . . . 1.0 112.241 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 1.2 p -65.75 -40.09 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.187 -0.605 . . . . 1.0 109.955 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -63.14 -39.2 93.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.207 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.22 98.84 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.26 79.34 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.437 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.67 -44.14 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.821 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.97 -41.26 91.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.37 0.507 . . . . 1.0 112.37 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.6 -41.39 92.83 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.359 0.503 . . . . 1.0 112.359 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.74 -39.18 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.989 -0.684 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.79 -44.29 94.28 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.236 -1.146 . . . . 1.0 110.236 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.18 -43.78 97.29 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.461 -0.496 . . . . 1.0 110.082 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.57 -37.78 79.39 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.974 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.2 97.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.181 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.06 -42.12 99.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.823 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.12 -39.82 78.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.896 0.379 . . . . 1.0 110.588 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.09 -43.55 97.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 1.0 109.684 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.754 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.7 t90 -58.16 -47.49 83.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.106 -0.702 . . . . 1.0 109.106 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -60.09 -44.04 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.474 -178.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.31 -43.4 98.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.707 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.427 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 4.2 mm? -64.95 -39.6 93.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.439 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.754 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.2 mt -63.02 -42.24 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.615 -0.434 . . . . 1.0 111.016 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 14.5 m -61.93 -41.03 97.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.744 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.31 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.648 0.61 . . . . 1.0 112.648 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 64.5 m80 -53.65 -47.83 69.96 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 119.935 -0.706 . . . . 1.0 109.566 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -101.76 110.12 22.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.854 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -68.46 145.02 54.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.48 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.36 -35.62 81.49 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.496 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.44 -40.97 80.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.164 -0.922 . . . . 1.0 111.409 -179.289 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.483 0.896 0 N-CA-C 109.823 -0.876 . . . . 1.0 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.76 -39.07 93.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 1.0 109.893 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 46.8 m 43.38 79.34 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.274 -0.875 . . . . 1.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -53.69 -39.77 82.18 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 121.977 1.785 . . . . 1.0 111.757 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 690' ' ' GLY . 64.4 pttt -143.57 148.24 35.63 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.998 0.427 . . . . 1.0 111.521 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 689' ' ' LYS . . . 44.95 -175.46 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.786 -0.643 . . . . 1.0 112.146 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -52.39 -40.71 70.31 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 123.383 2.722 . . . . 1.0 112.892 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 689' ' ' LYS . 88.7 m-20 54.55 31.82 15.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.407 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 694' ' ' LEU . 20.1 tt -67.21 -40.49 85.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.546 -0.909 . . . . 1.0 108.546 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.494 ' N ' HG23 ' A' ' 693' ' ' ILE . 86.2 mt -61.44 -42.55 98.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.427 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -42.22 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.046 0.45 . . . . 1.0 110.053 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.06 -44.69 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 1.0 111.654 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.52 -42.97 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.179 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.62 -44.03 97.3 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.905 0.383 . . . . 1.0 110.332 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.1 m -59.12 -47.18 86.23 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.322 -0.551 . . . . 1.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.11 -44.45 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 90.3 mtp -62.92 -38.53 91.37 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.308 -0.557 . . . . 1.0 110.675 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.16 99.24 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.335 -0.936 . . . . 1.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.32 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.69 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.31 -44.56 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.69 -42.34 98.01 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.556 -0.458 . . . . 1.0 111.783 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.33 -42.13 98.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.028 0.751 . . . . 1.0 113.028 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.44 -38.83 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.526 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.39 98.21 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.142 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 709' ' ' LEU . 92.5 mt -63.03 -43.65 98.13 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.63 85.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.961 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.08 97.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.2 -40.75 98.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.92 -39.82 79.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.139 0.495 . . . . 1.0 111.505 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.15 -43.15 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.484 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.58 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.5 t90 -59.34 -48.34 82.0 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -44.0 94.17 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.582 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.622 -0.431 . . . . 1.0 110.975 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.93 -40.91 97.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 1.0 110.978 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.58 HD11 ' NE1' ' A' ' 715' ' ' TRP . 82.8 mt -62.21 -41.64 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.064 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 18.4 m -61.92 -40.09 94.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.223 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.66 -40.39 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 112.134 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -53.58 -49.32 67.99 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.752 -0.779 . . . . 1.0 109.608 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -98.46 108.63 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.898 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -94.68 152.11 18.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.981 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -96.28 141.77 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.091 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.81 -39.38 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.174 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.928 -1.034 . . . . 1.0 110.807 -179.652 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.484 0.964 0 N-CA-C 109.528 -0.989 . . . . 1.0 109.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -135.46 149.33 49.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.822 0.344 . . . . 1.0 110.714 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.43 156.72 78.63 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.661 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.17 143.18 63.91 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.562 2.175 . . . . 1.0 111.653 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -77.22 135.44 38.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.768 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.68 71.83 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.598 -1.001 . . . . 1.0 110.598 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -53.76 -38.4 85.03 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.694 2.262 . . . . 1.0 112.042 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 55.15 28.98 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.213 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.06 -43.05 95.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.114 -1.069 . . . . 1.0 108.114 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 694' ' ' LEU . 10.8 mp -61.75 -41.19 97.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.238 -0.892 . . . . 1.0 111.65 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -43.81 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 1.0 110.937 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.41 -43.79 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.501 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.18 -43.1 99.41 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.037 -0.665 . . . . 1.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.89 -43.07 97.13 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.471 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 58.6 m -58.82 -44.14 90.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.239 -0.584 . . . . 1.0 109.916 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.74 -46.28 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.326 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.5 mtp -62.13 -37.98 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.88 -43.27 99.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.852 -1.299 . . . . 1.0 109.852 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.94 86.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.621 -0.289 . . . . 1.0 110.795 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.36 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.137 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.72 -43.94 95.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.348 . . . . 1.0 111.821 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.44 -42.0 98.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 13.7 tt -71.11 -38.59 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.442 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.5 -43.15 96.13 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.517 -1.033 . . . . 1.0 110.517 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.58 -43.91 97.63 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.179 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.33 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.175 -0.61 . . . . 1.0 110.098 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.82 94.32 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.54 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.81 -43.19 99.46 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.75 0.309 . . . . 1.0 111.298 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.62 -39.64 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.168 0.508 . . . . 1.0 110.809 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.81 -42.86 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 1.0 109.623 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -58.32 -45.89 87.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.808 -0.812 . . . . 1.0 108.808 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.22 -43.07 92.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.685 -0.689 . . . . 1.0 110.607 -179.403 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.53 -43.85 95.95 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 120.829 -0.348 . . . . 1.0 111.71 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 9.9 mp -63.99 -41.41 97.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.482 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.45 -42.22 94.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 112.586 0.587 . . . . 1.0 112.586 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.6 m -62.12 -40.31 95.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.71 0.633 . . . . 1.0 112.71 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 29.9 pt -68.13 -22.41 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.489 -0.484 . . . . 1.0 111.897 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 54.7 m80 -56.91 -43.65 81.61 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.943 -0.703 . . . . 1.0 109.761 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 722' ' ' HIS . 48.7 t0 -21.44 -47.01 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.124 0.89 . . . . 1.0 112.551 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 722' ' ' HIS . 84.8 mtp180 -122.46 148.75 44.77 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.461 -0.57 . . . . 1.0 109.461 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 726' ' ' GLU . 98.3 mttt -63.55 -40.39 96.88 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.803 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 725' ' ' LYS . 82.7 tt0 45.13 92.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.941 -1.028 . . . . 1.0 110.922 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo . . . . . 0 N--CA 1.483 0.874 0 N-CA-C 109.037 -1.178 . . . . 1.0 109.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 686' ' ' GLU . 54.9 mp0 -63.92 145.71 55.34 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.3 p -147.31 72.75 11.95 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -60.46 145.18 99.2 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.569 2.179 . . . . 1.0 111.683 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -126.39 146.71 49.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.286 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -56.78 -165.36 0.05 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.03 143.94 99.52 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.293 1.995 . . . . 1.0 111.632 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -109.16 -21.55 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.755 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 694' ' ' LEU . 20.8 tt -65.79 -40.45 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.415 -0.957 . . . . 1.0 108.415 178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 693' ' ' ILE . 79.1 mt -62.27 -41.29 98.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.558 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.01 -43.31 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 1.0 110.558 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 74.4 t -68.47 -44.63 83.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.441 -0.799 . . . . 1.0 112.219 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.98 -43.45 98.82 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.953 -0.699 . . . . 1.0 109.515 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.46 -42.52 98.61 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.185 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 70.5 m -58.69 -45.75 88.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.566 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.12 -44.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.541 -0.463 . . . . 1.0 109.923 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.33 -37.25 84.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.93 96.85 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.571 -1.012 . . . . 1.0 110.571 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.49 82.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 1.0 111.307 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.32 -43.87 98.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.449 -0.501 . . . . 1.0 110.307 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.97 -43.46 95.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.889 -0.596 . . . . 1.0 112.031 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.8 -41.65 95.63 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.232 0.456 . . . . 1.0 112.232 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.23 -39.8 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 120.083 -0.647 . . . . 1.0 110.602 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.94 -43.41 96.82 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.252 -0.975 . . . . 1.0 110.68 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.95 -44.25 96.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.761 0.315 . . . . 1.0 110.519 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.81 85.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.764 -179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.15 96.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.44 -44.42 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.882 -0.599 . . . . 1.0 112.055 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 717' ' ' LEU . 11.1 mp -69.44 -38.02 77.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.904 -0.718 . . . . 1.0 110.523 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.022 -0.671 . . . . 1.0 109.808 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.468 ' NE1' HD11 ' A' ' 719' ' ' ILE . 9.6 t90 -55.86 -45.66 78.45 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.414 -0.958 . . . . 1.0 108.414 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -57.9 -44.15 86.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.317 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 713' ' ' LEU . 9.0 mp -62.68 -42.64 99.74 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.484 -0.486 . . . . 1.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.82 -40.48 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.332 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.468 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.9 mt -62.33 -42.34 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.61 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 723' ' ' ASP . 23.0 m -61.99 -40.86 97.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.952 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 24.6 mm -63.83 -42.08 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.635 0.976 . . . . 1.0 113.635 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -53.3 -46.63 69.43 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.772 -0.771 . . . . 1.0 109.505 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.559 ' OD2' ' NZ ' ' A' ' 725' ' ' LYS . 55.7 p-10 -158.16 167.28 30.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.193 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -131.08 142.98 50.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.84 0.352 . . . . 1.0 110.577 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . 0.559 ' NZ ' ' OD2' ' A' ' 723' ' ' ASP . 62.5 mttp -133.64 146.37 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.306 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.72 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 1.0 110.501 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.768 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.485 0.99 0 N-CA-C 109.473 -1.01 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 140.34 53.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.279 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.52 164.21 0.34 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.965 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.68 151.11 79.51 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.518 2.146 . . . . 1.0 112.786 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.37 144.55 51.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.205 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.41 -56.63 7.45 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . 0.451 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 20.2 Cg_exo -60.3 143.47 99.5 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.394 2.062 . . . . 1.0 111.659 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 96.5 m-20 -143.4 104.91 4.3 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.327 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.79 -42.09 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.553 -0.536 . . . . 1.0 109.553 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.433 ' O ' HD13 ' A' ' 698' ' ' LEU . 93.5 mt -61.3 -41.55 97.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.747 -178.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -43.92 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 82.5 t -68.35 -43.0 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 111.781 0.289 . . . . 1.0 111.781 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.38 -44.13 97.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 120.068 -0.653 . . . . 1.0 110.691 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 694' ' ' LEU . 8.9 mp -63.74 -42.59 97.83 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.034 0.445 . . . . 1.0 111.052 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.9 m -58.09 -46.79 84.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.017 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.84 -46.72 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.455 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.55 -36.97 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.654 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.83 -43.95 98.17 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.65 -38.13 74.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.083 0.468 . . . . 1.0 110.269 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 3.8 mm -64.15 -43.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 705' ' ' LEU . 95.9 mt -63.06 -45.49 91.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.521 -0.471 . . . . 1.0 111.429 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.22 -41.68 96.91 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.466 0.913 . . . . 1.0 113.466 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.7 tt -70.06 -40.1 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 120.206 -0.598 . . . . 1.0 110.515 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.57 99.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.305 -0.95 . . . . 1.0 110.855 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.67 -42.43 99.61 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.693 -0.403 . . . . 1.0 110.212 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -61.29 -40.24 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.841 -0.743 . . . . 1.0 110.338 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.16 97.07 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.28 -42.67 99.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.355 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.03 -39.11 83.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 1.0 111.114 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.87 -43.73 99.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.33 -0.548 . . . . 1.0 110.042 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.723 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.8 t90 -55.84 -46.35 78.19 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.208 -0.664 . . . . 1.0 109.208 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -59.83 -42.36 93.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.136 -179.17 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.97 -44.93 95.71 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.955 0.354 . . . . 1.0 111.955 -178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.71 -40.09 94.77 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.839 -0.345 . . . . 1.0 110.751 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.723 HD11 ' NE1' ' A' ' 715' ' ' TRP . 83.0 mt -62.4 -42.03 94.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.91 0.386 . . . . 1.0 111.682 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 19.6 m -62.54 -40.34 96.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.571 . . . . 1.0 111.63 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.58 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.193 0.812 . . . . 1.0 113.193 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -57.05 -49.86 74.53 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 119.893 -0.723 . . . . 1.0 110.709 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -102.43 111.85 24.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.705 -0.479 . . . . 1.0 109.705 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -93.04 106.27 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.159 0.504 . . . . 1.0 110.7 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.73 -43.54 93.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.228 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -115.19 120.64 40.4 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.845 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.044 -0.979 . . . . 1.0 110.518 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo . . . . . 0 N--CA 1.486 1.068 0 N-CA-C 109.824 -0.876 . . . . 1.0 109.824 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -116.52 129.64 56.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.105 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . 0.551 ' N ' ' CD ' ' A' ' 688' ' ' PRO . 0.0 OUTLIER 179.05 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.197 0 C-N-CA 120.999 -0.28 . . . . 1.0 111.374 179.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 687' ' ' SER . 32.5 Cg_exo -57.56 -33.8 97.07 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.569 2.179 . . . . 1.0 111.953 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.8 tttm 44.7 26.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.064 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 159.81 171.69 26.01 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.67 -0.972 . . . . 1.0 110.67 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . 0.447 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 42.9 Cg_exo -53.58 -41.56 72.68 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.176 1.917 . . . . 1.0 112.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 96.2 m-20 -143.67 136.73 27.65 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.114 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 40.4 pt -54.97 -31.16 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.05 -1.093 . . . . 1.0 108.05 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.57 -43.04 99.81 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.243 -0.89 . . . . 1.0 111.5 -178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.95 -43.91 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.976 0.417 . . . . 1.0 110.637 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.29 -43.82 87.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.302 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.51 -44.28 96.19 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.005 -0.678 . . . . 1.0 109.702 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -44.01 97.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.982 0.42 . . . . 1.0 110.709 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.4 m -58.13 -45.61 87.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.618 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.64 -46.64 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 82.0 mtp -61.42 -38.52 87.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.433 -0.803 . . . . 1.0 111.727 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.53 96.59 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.64 75.6 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.465 0.542 . . . . 1.0 112.465 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.27 -42.78 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.561 -0.856 . . . . 1.0 110.633 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 48.3 tp -63.85 -43.3 96.55 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.715 -0.394 . . . . 1.0 111.292 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.05 -41.6 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -72.39 -36.58 55.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 119.859 -0.736 . . . . 1.0 110.409 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.66 -43.0 94.55 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.33 -43.98 97.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 1.0 110.164 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.16 -36.63 75.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.135 -0.626 . . . . 1.0 110.056 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.69 94.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.667 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.48 -42.16 99.3 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.669 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.25 -38.96 82.34 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.646 -0.421 . . . . 1.0 111.731 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.243 -0.583 . . . . 1.0 109.655 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -57.95 -47.59 82.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.947 -0.76 . . . . 1.0 108.947 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.436 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.14 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.008 -179.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.39 -44.38 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.003 -0.279 . . . . 1.0 111.3 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.34 -40.91 96.81 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.771 -0.371 . . . . 1.0 110.453 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.22 -42.17 95.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.878 -0.329 . . . . 1.0 111.723 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 723' ' ' ASP . 73.3 m -62.64 -41.9 99.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 1.0 110.911 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.18 -40.97 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 1.0 112.45 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -53.39 -47.12 69.78 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 119.24 -0.984 . . . . 1.0 108.994 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 720' ' ' THR . 59.0 t0 -100.97 109.92 21.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.28 178.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -82.23 140.93 33.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.009 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -81.4 140.6 34.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.151 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.88 132.66 54.04 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . 0.471 ' CD2' ' OXT' ' A' ' 727' ' ' PHE . 74.4 t80 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 117.923 -1.037 . . . . 1.0 110.484 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.482 0.812 0 N-CA-C 109.602 -0.961 . . . . 1.0 109.602 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.2 -38.79 82.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 1.0 109.881 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.58 172.26 7.67 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.764 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 690' ' ' GLY . 15.6 Cg_exo -60.44 144.38 99.51 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 121.752 1.634 . . . . 1.0 111.087 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 41.03 -96.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.245 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 688' ' ' PRO . . . 168.06 171.59 34.14 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . 0.447 ' O ' ' OD1' ' A' ' 692' ' ' ASP . 61.3 Cg_endo -72.2 150.79 54.03 Favored 'Trans proline' 0 C--N 1.301 -1.973 0 C-N-CA 123.049 2.499 . . . . 1.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 691' ' ' PRO . 98.6 m-20 -140.23 -46.91 0.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.933 0.397 . . . . 1.0 110.746 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 36.9 pt -56.36 -26.99 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.819 . . . . 1.0 108.787 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.81 -41.8 99.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.29 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t -62.62 -44.19 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.739 0.304 . . . . 1.0 111.105 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.2 -42.94 88.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.283 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.11 -44.43 96.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 698' ' ' LEU . 85.4 mt -64.6 -42.03 95.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.96 0.409 . . . . 1.0 110.931 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 66.3 m -58.11 -46.23 85.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.859 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.34 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.32 -45.79 95.74 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.25 -1.14 . . . . 1.0 110.25 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.76 -40.11 78.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.91 -43.57 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.591 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.97 -43.7 94.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.25 -40.23 93.73 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.496 0.554 . . . . 1.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 5.0 tt -70.79 -39.73 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.802 -0.759 . . . . 1.0 109.915 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.65 -44.2 97.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.594 -1.002 . . . . 1.0 110.594 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 709' ' ' LEU . 85.6 mt -62.76 -42.77 99.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.47 -0.492 . . . . 1.0 110.172 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.92 87.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.058 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.95 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.531 . . . . 1.0 111.336 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 712' ' ' LEU . 96.9 mt -63.87 -40.72 97.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.007 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -41.09 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 1.0 111.649 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.91 -42.9 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.192 -0.603 . . . . 1.0 109.966 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.631 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.1 t90 -54.49 -45.39 73.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.625 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -58.68 -43.23 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.823 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.646 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 718' ' ' LEU . 11.0 mp -66.69 -40.06 88.38 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.071 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.631 HD11 ' NE1' ' A' ' 715' ' ' TRP . 97.5 mt -61.69 -41.52 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 C-N-CA 120.114 -0.635 . . . . 1.0 110.283 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 98.7 m -63.95 -42.87 97.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.444 -0.798 . . . . 1.0 112.797 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 718' ' ' LEU . 3.5 tt -66.32 -32.16 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.361 0.504 . . . . 1.0 112.361 -177.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -56.76 -45.77 81.84 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.6 -0.84 . . . . 1.0 109.464 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -101.78 115.48 30.63 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.183 0.516 . . . . 1.0 110.911 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -62.84 -40.08 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.141 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.35 149.25 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.829 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -133.02 143.19 49.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 1.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.846 -1.073 . . . . 1.0 110.408 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.481 0.738 0 N-CA-C 109.168 -1.128 . . . . 1.0 109.168 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -121.39 130.54 53.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.177 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 39.0 p -171.89 71.67 0.47 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.256 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.83 146.12 97.96 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.503 2.135 . . . . 1.0 111.609 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.49 144.02 50.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.479 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -94.52 -171.16 37.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.661 -0.78 . . . . 1.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.47 143.84 99.48 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.08 2.52 . . . . 1.0 112.527 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -74.72 139.12 43.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.528 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 20.6 tt -51.26 -25.77 4.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.953 -0.758 . . . . 1.0 108.953 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.51 -41.66 98.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.837 -0.62 . . . . 1.0 112.5 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 696' ' ' VAL . 1.4 m -61.39 -41.71 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.681 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . 0.431 ' N ' ' CG2' ' A' ' 695' ' ' VAL . 74.8 t -67.91 -43.05 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.284 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.13 -44.05 97.93 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.987 -0.685 . . . . 1.0 109.944 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.49 -42.85 95.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.798 0.332 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 74.7 m -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.0 -0.68 . . . . 1.0 110.393 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.71 -46.18 95.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.617 -0.433 . . . . 1.0 109.969 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 91.4 mtp -61.53 -39.11 89.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.081 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.39 99.3 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.729 -0.948 . . . . 1.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.9 90.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.441 -0.379 . . . . 1.0 111.803 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -43.86 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.455 -0.498 . . . . 1.0 110.695 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.56 -42.9 95.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.324 0.49 . . . . 1.0 112.324 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.54 -42.04 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.862 0.69 . . . . 1.0 112.862 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.0 tt -71.8 -38.65 66.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.549 -0.461 . . . . 1.0 111.01 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -56.64 -42.82 91.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 109.846 -1.302 . . . . 1.0 109.846 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.85 -43.56 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.58 90.35 Favored 'General case' 0 N--CA 1.461 0.085 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.444 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.16 -42.2 99.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.374 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.5 mt -68.09 -40.1 82.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.252 0.549 . . . . 1.0 110.585 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.28 -43.88 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.122 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.585 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -58.02 -47.05 84.23 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.748 -0.834 . . . . 1.0 108.748 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -60.72 -42.84 98.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.041 -178.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 717' ' ' LEU . 55.1 mt -61.72 -43.1 99.5 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.32 -41.54 98.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.757 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.585 HD11 ' NE1' ' A' ' 715' ' ' TRP . 91.8 mt -63.22 -41.55 93.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.3 m -62.94 -42.22 99.74 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.193 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.91 -42.06 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.754 0.65 . . . . 1.0 112.754 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -54.9 -47.05 74.84 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.224 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -98.1 103.98 15.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 1.0 110.23 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -134.05 129.78 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.058 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -79.03 141.64 37.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.084 0.469 . . . . 1.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.87 -37.42 84.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.683 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.133 -0.937 . . . . 1.0 110.768 -179.528 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.478 0.567 0 N-CA-C 109.615 -0.956 . . . . 1.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 56.56 37.45 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.713 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 8.6 t -168.75 81.62 0.73 Allowed Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.027 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -60.79 145.76 98.47 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.484 2.123 . . . . 1.0 112.268 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.51 -43.79 92.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.012 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -174.08 -168.28 34.78 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -61.89 143.94 96.12 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.641 2.227 . . . . 1.0 112.191 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -138.74 -48.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.129 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.77 -41.21 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.455 -0.943 . . . . 1.0 108.455 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 694' ' ' LEU . 36.9 mt -60.91 -39.83 90.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.109 -178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.88 -42.97 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.13 -43.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.625 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.89 -44.13 94.39 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.448 -0.501 . . . . 1.0 109.924 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.45 -42.5 95.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.019 0.438 . . . . 1.0 110.63 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 75.4 m -58.11 -48.11 81.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.813 -0.631 . . . . 1.0 111.805 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.04 -41.14 91.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.274 -0.57 . . . . 1.0 109.801 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.9 -39.37 91.75 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.363 -0.535 . . . . 1.0 110.763 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.14 -43.5 99.33 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.11 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.585 -0.307 . . . . 1.0 110.961 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.28 -43.82 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.606 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.4 -45.98 88.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.69 -0.404 . . . . 1.0 111.536 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.22 -41.56 96.98 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.2 tt -71.71 -40.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.041 -0.664 . . . . 1.0 110.578 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -57.54 -42.56 94.08 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 709' ' ' LEU . 39.3 mt -63.9 -42.5 97.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 1.0 110.51 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.54 83.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.525 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.53 94.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.828 . . . . 1.0 109.849 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.393 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.22 -39.61 75.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.471 . . . . 1.0 111.321 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.66 -43.08 96.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.242 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.589 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.6 t90 -54.76 -46.2 74.31 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 108.952 -0.759 . . . . 1.0 108.952 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.1 OUTLIER -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.67 -178.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.13 -43.62 98.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.961 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.86 -38.86 92.4 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.268 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.589 HD11 ' NE1' ' A' ' 715' ' ' TRP . 90.4 mt -62.42 -41.15 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.094 0.473 . . . . 1.0 110.648 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 17.6 m -63.11 -42.16 99.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.412 -0.813 . . . . 1.0 111.045 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 31.2 mm -63.75 -41.08 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.282 0.475 . . . . 1.0 112.282 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.234 -0.986 . . . . 1.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -99.78 112.66 24.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.257 0.551 . . . . 1.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -83.37 138.87 33.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -104.57 147.66 27.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.464 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.57 -40.65 95.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.44 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.121 -0.942 . . . . 1.0 110.653 179.459 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo . . . . . 0 N--CA 1.486 1.088 0 N-CA-C 109.544 -0.983 . . . . 1.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.96 -36.47 80.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.784 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.1 157.78 33.02 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.383 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.26 -23.22 72.48 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.809 2.34 . . . . 1.0 111.671 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -76.43 140.6 41.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.945 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . 0.545 ' H ' ' CD ' ' A' ' 691' ' ' PRO . . . -107.84 -51.24 0.75 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . 0.545 ' CD ' ' H ' ' A' ' 690' ' ' GLY . 22.4 Cg_exo -61.45 148.03 93.98 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.662 2.241 . . . . 1.0 111.518 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -65.74 143.6 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.64 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 32.7 pt -58.35 -31.56 43.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.827 -0.805 . . . . 1.0 108.827 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.66 -41.44 95.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.601 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.82 -42.44 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.637 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.91 -42.58 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.56 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.78 -44.01 94.12 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.91 -42.68 99.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 1.0 110.527 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 55.8 m -58.03 -46.9 84.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.516 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.71 -46.26 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.082 0.468 . . . . 1.0 110.176 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.0 mtp -62.6 -39.57 94.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.877 -0.602 . . . . 1.0 111.43 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.95 98.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.97 -1.252 . . . . 1.0 109.97 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.51 80.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.525 -0.338 . . . . 1.0 111.104 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 32.4 mm -64.44 -44.39 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.37 -42.46 92.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.057 0.391 . . . . 1.0 112.057 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.93 -41.44 95.53 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.47 0.545 . . . . 1.0 112.47 -178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 19.5 tt -70.81 -40.54 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 120.194 -0.603 . . . . 1.0 111.196 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.28 97.13 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.15 -1.024 . . . . 1.0 110.802 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.47 -44.91 93.09 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.398 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -56.81 -39.22 73.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.27 -0.641 . . . . 1.0 109.27 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.35 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.396 -0.82 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.27 -42.64 98.98 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 713' ' ' LEU . 4.2 mm? -67.61 -38.68 84.3 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.597 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.96 -45.03 99.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.317 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.422 ' NE1' HD11 ' A' ' 719' ' ' ILE . 8.8 t90 -58.62 -45.13 89.89 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.939 -0.763 . . . . 1.0 108.939 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -44.8 86.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.623 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.2 -42.85 99.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.561 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.475 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 90.6 mt -64.04 -43.3 95.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.348 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.422 HD11 ' NE1' ' A' ' 715' ' ' TRP . 79.3 mt -63.65 -41.88 94.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.037 0.446 . . . . 1.0 111.514 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . 0.457 ' CG2' ' HE ' ' A' ' 724' ' ' ARG . 19.7 m -61.06 -43.11 99.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.228 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.7 -39.45 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.832 0.679 . . . . 1.0 112.832 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 60.4 m80 -52.88 -44.69 67.05 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.412 -0.915 . . . . 1.0 110.27 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 720' ' ' THR . 32.1 p-10 -101.26 8.13 42.62 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.946 -0.301 . . . . 1.0 111.674 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . 0.457 ' HE ' ' CG2' ' A' ' 720' ' ' THR . 61.6 ttm-85 -130.07 143.11 50.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.873 0.368 . . . . 1.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -133.05 148.77 52.21 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -69.4 -39.79 77.73 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.329 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 70.3 t80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.696 179.627 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 N--CA 1.483 0.892 0 N-CA-C 109.631 -0.95 . . . . 1.0 109.631 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 56.65 77.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.176 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 78.7 p -172.53 78.72 0.44 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.134 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.37 -37.38 89.01 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.452 2.102 . . . . 1.0 111.131 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.01 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.509 -0.769 . . . . 1.0 110.81 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 50.16 -168.4 0.3 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.299 -0.72 . . . . 1.0 111.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -62.6 145.85 95.3 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.786 2.324 . . . . 1.0 111.905 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -62.7 146.39 52.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.94 -41.9 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.162 -1.051 . . . . 1.0 108.162 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.6 -40.82 88.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.393 -0.822 . . . . 1.0 110.596 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.47 -43.22 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 1.0 110.688 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 85.1 t -68.77 -42.73 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.888 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.87 -42.3 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.67 -41.76 95.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 67.7 m -58.26 -47.89 82.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.697 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 16.0 m -64.49 -41.7 93.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 C-N-CA 120.053 -0.659 . . . . 1.0 109.567 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.6 mtp -62.58 -38.83 91.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.685 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.83 -43.94 98.54 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.363 -1.095 . . . . 1.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.191 -0.504 . . . . 1.0 110.781 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.02 -44.82 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.72 -44.95 92.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.722 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.46 -41.48 93.36 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.97 0.729 . . . . 1.0 112.97 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.9 tt -70.77 -39.1 75.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.085 -0.646 . . . . 1.0 110.118 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 712' ' ' LEU . . . -59.33 -44.19 96.74 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.385 -0.526 . . . . 1.0 109.697 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.21 80.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.569 . . . . 1.0 109.798 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.63 88.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.861 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 708' ' ' GLY . 9.5 mp -63.38 -40.88 98.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.118 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 99.0 mt -66.6 -41.1 88.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.213 0.53 . . . . 1.0 110.826 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 3.7 mm -63.09 -43.62 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.347 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -58.71 -48.31 81.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.588 -0.893 . . . . 1.0 108.588 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.5 OUTLIER -59.24 -44.94 92.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.853 -179.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.57 -42.46 98.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.634 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.39 -41.2 96.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.775 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 2.2 mm -62.82 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.338 . . . . 1.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 724' ' ' ARG . 87.1 m -62.77 -42.18 99.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.264 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.7 -41.38 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -53.19 -46.32 68.92 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.494 -0.882 . . . . 1.0 109.8 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -89.5 -85.79 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.175 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 720' ' ' THR . 85.6 mtt85 -75.85 145.01 40.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.584 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -126.37 141.18 52.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.249 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -107.6 114.0 27.68 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . 0.43 ' CD2' ' OXT' ' A' ' 727' ' ' PHE . 86.3 t80 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 118.058 -0.972 . . . . 1.0 110.48 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 N--CA 1.484 0.967 0 N-CA-C 109.706 -0.921 . . . . 1.0 109.706 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.01 134.7 43.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.38 170.97 5.65 Favored Pre-proline 0 C--O 1.232 0.146 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.106 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -51.81 -41.43 62.64 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.038 1.825 . . . . 1.0 111.646 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -95.51 139.38 31.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 1.0 109.71 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . 0.576 ' N ' ' CD ' ' A' ' 691' ' ' PRO . . . 160.26 -43.29 0.43 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.575 -0.822 . . . . 1.0 111.656 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 690' ' ' GLY . 26.2 Cg_exo -59.64 140.69 94.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.565 2.177 . . . . 1.0 112.646 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -120.06 4.65 10.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.153 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 694' ' ' LEU . 19.5 tt -72.72 -42.01 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.667 -0.864 . . . . 1.0 108.667 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . 0.49 ' N ' HG23 ' A' ' 693' ' ' ILE . 95.2 mt -64.38 -43.88 93.09 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.346 0.869 . . . . 1.0 113.346 -178.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 696' ' ' VAL . 11.9 p -62.68 -40.95 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.715 -0.794 . . . . 1.0 111.274 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . 0.404 ' N ' HG13 ' A' ' 695' ' ' VAL . 80.4 t -67.99 -44.62 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 111.904 0.335 . . . . 1.0 111.904 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.28 -46.25 89.6 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.329 -0.549 . . . . 1.0 110.427 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.93 -42.4 94.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.187 -0.205 . . . . 1.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 71.4 m -59.03 -45.76 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.456 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.25 -45.22 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.025 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 92.2 mtp -60.99 -38.19 85.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.563 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.79 -43.96 98.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.486 -1.045 . . . . 1.0 110.486 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.733 0.302 . . . . 1.0 111.351 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 48.3 mm -62.91 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.831 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.6 -41.76 96.0 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.104 0.409 . . . . 1.0 112.104 -178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.22 -41.37 99.12 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.81 -36.64 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.874 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.1 94.69 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.426 -0.892 . . . . 1.0 111.342 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.72 -42.8 97.86 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.042 -0.663 . . . . 1.0 110.676 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.08 82.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.32 -0.552 . . . . 1.0 110.326 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.83 95.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.143 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.55 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.583 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.93 -40.49 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 1.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.28 -42.54 93.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.553 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . 0.69 ' NE1' HD11 ' A' ' 719' ' ' ILE . 10.2 t90 -56.63 -46.82 80.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -59.21 -44.68 92.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.197 -178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.72 -43.07 99.75 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.108 -0.637 . . . . 1.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.404 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 93.0 mt -63.89 -41.67 97.66 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.261 -0.576 . . . . 1.0 110.48 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . 0.69 HD11 ' NE1' ' A' ' 715' ' ' TRP . 94.5 mt -62.16 -41.89 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.95 0.405 . . . . 1.0 111.395 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 16.1 m -61.83 -41.9 98.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 1.0 111.062 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 27.9 mm -63.94 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.788 0.662 . . . . 1.0 112.788 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 723' ' ' ASP . 63.2 m80 -53.35 -44.51 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.061 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 724' ' ' ARG . 62.3 t0 -20.52 136.78 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.74 0.645 . . . . 1.0 112.74 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . 0.543 ' N ' ' OD1' ' A' ' 723' ' ' ASP . 99.8 mtt180 -78.54 139.3 38.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.633 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -97.14 149.95 21.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 1.0 111.201 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 52.08 82.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.103 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.558 -179.626 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.483 0.853 0 N-CA-C 108.702 -1.307 . . . . 1.0 108.702 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.88 -39.06 90.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.625 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.48 74.37 0.7 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.784 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 688' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.31 143.44 98.02 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.821 2.347 . . . . 1.0 111.47 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.82 -41.54 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.122 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . 51.67 59.7 8.25 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 121.142 -0.552 . . . . 1.0 111.954 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 691' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.96 142.38 74.91 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.445 2.097 . . . . 1.0 111.41 179.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 692' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -130.13 3.22 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.063 -0.255 . . . . 1.0 110.73 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 693' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.86 -42.5 92.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 178.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 694' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.63 -39.8 92.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.713 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 695' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.18 -43.54 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.104 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 696' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.72 -46.57 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.55 0.574 . . . . 1.0 112.55 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.13 -43.0 99.59 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.754 -0.778 . . . . 1.0 110.846 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.69 -44.23 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.663 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 699' ' ' SER . . . . . . . . . . . . . 31.2 m -59.28 -44.25 92.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.269 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.74 -45.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.522 -0.547 . . . . 1.0 109.522 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.72 -39.95 95.66 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.83 0.347 . . . . 1.0 110.519 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.98 -43.2 99.73 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.375 -1.49 . . . . 1.0 109.375 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.05 -37.39 76.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.352 -0.424 . . . . 1.0 110.58 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.86 -44.48 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.013 0.435 . . . . 1.0 110.22 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 705' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -44.52 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.836 -178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.743 0.646 . . . . 1.0 112.743 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 707' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.02 -38.36 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.733 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . . . . . . . . . . . -63.3 -42.64 99.19 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.215 -0.993 . . . . 1.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 709' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.96 -43.07 99.8 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.663 -0.415 . . . . 1.0 110.437 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 710' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.14 81.3 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.933 -0.707 . . . . 1.0 109.703 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 711' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.29 96.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 1.0 110.135 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 712' ' ' LEU . . . . . . . . . . . . . 88.9 mt -61.76 -43.06 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.325 -179.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.7 -40.01 80.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.588 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 714' ' ' ILE . . . . . . . . . . . . . 80.3 mt -62.96 -43.53 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.677 179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 715' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -60.21 -49.03 79.25 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 716' ' ' LYS . 0.2 OUTLIER -60.49 -39.98 89.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.908 -178.575 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.37 -43.48 98.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.363 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 718' ' ' LEU . . . . . 0.503 ' O ' ' ND1' ' A' ' 722' ' ' HIS . 86.9 mt -64.08 -43.8 94.34 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.667 -0.413 . . . . 1.0 111.222 -179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 719' ' ' ILE . . . . . . . . . . . . . 1.2 mp -62.93 -41.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 9.2 m -62.12 -41.73 98.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.042 0.449 . . . . 1.0 110.453 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 721' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.43 -38.71 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 112.255 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 722' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 718' ' ' LEU . 48.3 m80 -53.18 -41.77 65.57 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.689 -0.804 . . . . 1.0 110.402 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 722' ' ' HIS . 97.2 m-20 -20.96 137.67 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.707 0.63 . . . . 1.0 112.604 -178.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 724' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 -73.45 149.89 42.06 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.319 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 725' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -135.03 146.43 48.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.931 0.396 . . . . 1.0 111.068 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.837 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 727' ' ' PHE . . . . . 0.505 ' OXT' ' CG ' ' A' ' 727' ' ' PHE . 84.9 t80 . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.816 -1.088 . . . . 1.0 109.766 -179.454 . . . . . . . . 1 1 . 1 stop_ save_