data_6pf0_residue ############################ # Computer software used # ############################ 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 6pf0 _Structure_validation_residue.Date_analyzed 2019-10-11 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 ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.982 0.42 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.02 -42.15 97.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.02 -34.05 88.87 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.97 -43.43 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.029 0.443 . . . . 0.0 110.28 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.21 -41.76 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.138 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.515 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 69.7 m-70 -68.41 -38.55 81.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.848 0.356 . . . . 0.0 110.998 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.42 -47.84 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.97 93.71 Favored Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 26.0 ttpt -61.13 -41.24 96.35 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.951 0.405 . . . . 0.0 110.724 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -63.72 -44.71 92.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mm -64.27 -45.08 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -60.98 -39.51 89.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -66.81 -43.46 83.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.89 -43.15 93.85 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.464 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.88 -45.31 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.264 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m -73.71 122.5 22.45 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.86 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.862 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.521 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 120.533 0.206 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.66 -42.1 95.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.234 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.41 -34.1 89.04 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.36 -44.4 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.448 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.604 ' CE1' ' HZ2' ' A' ' 14' ' ' LYS . 52.1 t60 -66.76 -42.29 86.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.905 0.383 . . . . 0.0 110.556 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.92 -47.25 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.2 97.81 Favored Glycine 0 N--CA 1.472 1.054 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HZ2' ' CE1' ' A' ' 11' ' ' HIS . 8.0 ttpt -62.48 -41.35 98.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.662 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 m -64.68 -42.98 94.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.161 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.74 -45.04 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.658 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.1 -39.14 93.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.241 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -43.75 91.65 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -43.45 95.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.48 -46.78 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.373 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.6 p -74.1 118.45 17.07 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.905 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.791 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 120.917 0.389 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -60.15 -43.92 95.4 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.091 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 -34.03 88.83 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.95 -44.09 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 121.167 0.508 . . . . 0.0 110.053 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.78 -42.75 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.009 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.65 -44.59 93.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.94 0.4 . . . . 0.0 110.584 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -45.67 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.92 95.76 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.1 -40.44 97.65 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.82 0.343 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -40.11 83.15 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.362 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.04 -45.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 120.708 0.289 . . . . 0.0 110.457 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -63.55 -38.62 91.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.82 92.1 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.775 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.36 -43.14 91.76 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.944 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.92 -43.8 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -72.36 127.5 32.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.832 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.718 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.6 t80 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.968 0.413 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -41.3 97.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.983 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -35.11 91.58 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.22 -44.34 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.48 -42.6 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.316 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CE1' ' HZ2' ' A' ' 14' ' ' LYS . 13.1 m-70 -66.0 -43.53 87.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.015 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.85 -47.47 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.02 -33.4 87.14 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HZ2' ' CE1' ' A' ' 11' ' ' HIS . 26.5 ttpt -61.19 -38.84 87.99 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.684 0.278 . . . . 0.0 110.804 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.7 p -68.31 -41.42 80.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.21 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.93 -44.8 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -64.69 -35.79 82.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.364 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -68.24 -42.73 79.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.85 -43.61 92.48 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.666 0.27 . . . . 0.0 111.622 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.24 -46.59 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -74.49 122.95 23.85 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.881 179.634 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.1 t80 . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -60.99 -42.45 98.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.7 -34.45 89.97 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.56 -44.17 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.091 0.472 . . . . 0.0 110.06 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.62 -41.95 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.215 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.68 -52.02 66.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 m -63.13 -41.12 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.009 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -48.54 81.07 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -64.8 -35.78 82.21 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.753 0.311 . . . . 0.0 110.33 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -62.07 -42.57 99.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.095 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.01 -44.4 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.284 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -59.45 -42.44 91.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.084 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -43.76 86.23 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.588 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.67 -43.59 96.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.92 -44.57 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.68 122.84 22.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.893 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.631 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.51 -42.34 99.44 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.67 89.67 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.28 -44.31 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 120.951 0.405 . . . . 0.0 110.632 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.5 -39.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.686 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 21.3 m-70 -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.29 -48.43 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -29.41 74.51 Favored Glycine 0 N--CA 1.47 0.961 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 39.5 ttpt -58.82 -36.48 74.59 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -66.35 -44.29 83.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.72 -45.53 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -61.78 -41.1 97.3 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -66.55 -42.83 86.53 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.66 -45.75 88.71 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.875 0.369 . . . . 0.0 111.263 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.49 -44.76 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.5 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -73.59 120.75 19.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.487 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.75 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.3 -42.27 99.04 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.86 -34.71 90.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.64 -44.75 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.021 0.438 . . . . 0.0 110.332 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.82 -43.18 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.34 -48.25 80.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.764 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.91 -46.57 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.61 92.29 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.53 -37.11 84.83 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.642 0.258 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -67.53 -38.48 84.29 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.96 -47.42 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -61.96 -39.88 93.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.391 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -66.4 -43.6 85.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.282 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.11 -44.12 89.78 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.795 0.331 . . . . 0.0 111.484 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.16 -44.62 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -73.12 122.49 21.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.059 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.473 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 120.941 0.401 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -60.57 -43.23 97.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.367 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.4 89.81 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.56 -44.12 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.075 0.464 . . . . 0.0 110.295 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.03 -42.2 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.616 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 37.0 m-70 -66.45 -42.65 87.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.559 0.218 . . . . 0.0 111.029 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.28 -46.18 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.471 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.01 86.09 Favored Glycine 0 N--CA 1.472 1.093 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.616 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 20.7 ttmt -59.69 -38.77 82.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.89 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.1 p -66.64 -41.47 88.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.08 -46.01 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.65 -40.88 93.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.073 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -42.45 88.19 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.568 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.39 -43.9 96.23 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.09 -39.29 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 p -73.83 118.85 17.27 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.773 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -63.82 -39.51 94.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.65 -35.43 91.92 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.29 -44.64 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.78 -42.86 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.004 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.06 -44.32 89.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.475 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -43.78 93.74 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.82 88.86 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -34.48 78.29 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.62 -44.06 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.708 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -58.1 -39.82 79.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -70.0 -39.33 75.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.38 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.03 -45.56 84.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.95 -38.97 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 0.0 111.63 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -73.03 121.54 20.3 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.786 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.811 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.042 0.449 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -65.48 -37.92 88.24 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -34.07 88.95 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.0 -43.91 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.077 0.465 . . . . 0.0 110.321 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.42 -42.92 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.572 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 67.9 m-70 -67.29 -40.68 86.11 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.206 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.72 -47.38 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.325 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.88 -40.76 97.49 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 25.5 ttpt -61.73 -42.03 98.43 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.843 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -65.07 -44.42 89.02 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.82 -44.8 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.831 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -63.98 -37.24 86.68 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.93 -43.27 88.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.09 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.31 -42.88 92.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 111.484 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.75 -44.95 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.319 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.53 123.94 24.92 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.393 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 80.4 m-85 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -61.2 -45.78 93.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.93 -39.32 89.0 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.441 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 48.1 m80 -68.06 -42.59 80.26 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.767 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.63 -43.2 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.095 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.82 -39.39 83.95 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.982 0.42 . . . . 0.0 110.883 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.02 -42.15 97.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.02 -34.05 88.87 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.97 -43.43 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.029 0.443 . . . . 0.0 110.28 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.21 -41.76 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.138 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.515 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 69.7 m-70 -68.41 -38.55 81.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.848 0.356 . . . . 0.0 110.998 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.42 -47.84 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.97 93.71 Favored Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 26.0 ttpt -61.13 -41.24 96.35 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.951 0.405 . . . . 0.0 110.724 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -63.72 -44.71 92.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mm -64.27 -45.08 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -60.98 -39.51 89.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -66.81 -43.46 83.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.89 -43.15 93.85 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.464 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.88 -45.31 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.264 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m -73.71 122.5 22.45 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.86 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.13 -101.96 2.21 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 119.768 -2.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -63.46 -42.66 98.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.718 0.294 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -61.07 -37.49 82.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -67.34 -40.49 85.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.464 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.53 -43.57 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.4 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -68.36 -38.59 81.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.533 0.206 . . . . 0.0 111.436 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.66 -42.1 95.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.234 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.41 -34.1 89.04 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.36 -44.4 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.448 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.604 ' CE1' ' HZ2' ' A' ' 14' ' ' LYS . 52.1 t60 -66.76 -42.29 86.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.905 0.383 . . . . 0.0 110.556 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.92 -47.25 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.2 97.81 Favored Glycine 0 N--CA 1.472 1.054 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HZ2' ' CE1' ' A' ' 11' ' ' HIS . 8.0 ttpt -62.48 -41.35 98.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.662 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 m -64.68 -42.98 94.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.161 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.74 -45.04 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.658 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.1 -39.14 93.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.241 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -43.75 91.65 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -43.45 95.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.48 -46.78 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.373 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.6 p -74.1 118.45 17.07 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.905 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.5 -58.12 0.68 Allowed Glycine 0 N--CA 1.468 0.791 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.492 0 O-C-N 119.802 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.485 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 36.3 t80 . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -63.94 -44.21 93.52 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.627 ' CE1' HH21 ' A' ' 7' ' ' ARG . 44.4 t-80 -60.99 -37.47 82.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.842 0.353 . . . . 0.0 110.464 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.485 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 56.9 m80 -67.2 -44.11 80.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.977 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.54 -43.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.999 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -68.86 -37.68 79.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.917 0.389 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.627 HH21 ' CE1' ' A' ' 3' ' ' HIS . 25.3 ttm180 -60.15 -43.92 95.4 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.091 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 -34.03 88.83 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.95 -44.09 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 121.167 0.508 . . . . 0.0 110.053 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.78 -42.75 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.009 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.65 -44.59 93.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.94 0.4 . . . . 0.0 110.584 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -45.67 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.92 95.76 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.1 -40.44 97.65 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.82 0.343 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -40.11 83.15 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.362 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.04 -45.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 120.708 0.289 . . . . 0.0 110.457 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -63.55 -38.62 91.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.82 92.1 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.775 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.36 -43.14 91.76 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.944 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.92 -43.8 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -72.36 127.5 32.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.832 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.77 -178.41 48.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 119.836 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.513 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 95.5 m-85 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -61.46 -45.67 93.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.64 0.257 . . . . 0.0 111.247 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -61.01 -39.18 88.75 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.37 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.513 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 41.1 m80 -68.06 -43.19 79.18 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.37 -43.26 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -66.11 -41.35 90.71 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.968 0.413 . . . . 0.0 111.023 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -41.3 97.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.983 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -35.11 91.58 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.22 -44.34 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.48 -42.6 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.316 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CE1' ' HZ2' ' A' ' 14' ' ' LYS . 13.1 m-70 -66.0 -43.53 87.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.015 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.85 -47.47 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.02 -33.4 87.14 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HZ2' ' CE1' ' A' ' 11' ' ' HIS . 26.5 ttpt -61.19 -38.84 87.99 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.684 0.278 . . . . 0.0 110.804 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.7 p -68.31 -41.42 80.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.21 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.93 -44.8 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -64.69 -35.79 82.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.364 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -68.24 -42.73 79.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.85 -43.61 92.48 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.666 0.27 . . . . 0.0 111.622 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.24 -46.59 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -74.49 122.95 23.85 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.75 -76.69 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.881 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 119.667 -2.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.453 ' H3 ' ' CE1' ' A' ' 4' ' ' HIS . 93.2 m-85 . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -62.18 -45.71 92.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -61.32 -39.21 89.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' CE1' ' H3 ' ' A' ' 1' ' ' PHE . 50.5 m80 -67.57 -42.87 81.9 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.525 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 mm -65.11 -43.29 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -65.69 -40.83 92.72 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.697 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -60.99 -42.45 98.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.7 -34.45 89.97 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.56 -44.17 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.091 0.472 . . . . 0.0 110.06 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.62 -41.95 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.215 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.68 -52.02 66.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 m -63.13 -41.12 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.009 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -48.54 81.07 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -64.8 -35.78 82.21 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.753 0.311 . . . . 0.0 110.33 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -62.07 -42.57 99.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.095 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.01 -44.4 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.284 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -59.45 -42.44 91.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.084 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -43.76 86.23 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.588 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.67 -43.59 96.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.92 -44.57 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.68 122.84 22.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.69 -77.23 1.27 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 119.781 -2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.84 -39.86 94.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -60.27 -35.75 76.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.708 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -71.35 -38.99 71.59 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.27 -44.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.218 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.96 -35.01 74.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.198 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.51 -42.34 99.44 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.67 89.67 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.28 -44.31 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 120.951 0.405 . . . . 0.0 110.632 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.5 -39.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.686 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 21.3 m-70 -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.29 -48.43 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -29.41 74.51 Favored Glycine 0 N--CA 1.47 0.961 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 39.5 ttpt -58.82 -36.48 74.59 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -66.35 -44.29 83.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.72 -45.53 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -61.78 -41.1 97.3 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -66.55 -42.83 86.53 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.66 -45.75 88.71 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.875 0.369 . . . . 0.0 111.263 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.49 -44.76 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.5 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -73.59 120.75 19.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.487 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.23 -129.49 6.28 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.504 0 O-C-N 119.818 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 91.9 m-85 . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -62.44 -44.7 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.669 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.48 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 54.1 m80 -67.88 -42.49 81.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.837 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.68 -43.55 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.705 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -68.17 -37.69 81.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 111.116 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.3 -42.27 99.04 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.86 -34.71 90.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.64 -44.75 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.021 0.438 . . . . 0.0 110.332 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.82 -43.18 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.34 -48.25 80.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.764 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.91 -46.57 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.61 92.29 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.53 -37.11 84.83 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.642 0.258 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.3 p -67.53 -38.48 84.29 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.96 -47.42 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -61.96 -39.88 93.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.391 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -66.4 -43.6 85.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.282 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.11 -44.12 89.78 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.795 0.331 . . . . 0.0 111.484 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.16 -44.62 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -73.12 122.49 21.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.059 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.38 -77.6 0.15 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.491 0 O-C-N 119.651 -2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.67 -39.17 91.05 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.1 -40.91 86.79 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -70.14 -39.86 75.14 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.839 0.352 . . . . 0.0 110.813 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.19 -44.09 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -69.71 -36.81 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.941 0.401 . . . . 0.0 110.483 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -60.57 -43.23 97.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.367 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.4 89.81 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.56 -44.12 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.075 0.464 . . . . 0.0 110.295 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.03 -42.2 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.616 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 37.0 m-70 -66.45 -42.65 87.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.559 0.218 . . . . 0.0 111.029 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.28 -46.18 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.471 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.01 86.09 Favored Glycine 0 N--CA 1.472 1.093 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 20.7 ttmt -59.69 -38.77 82.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.89 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.1 p -66.64 -41.47 88.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.08 -46.01 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.65 -40.88 93.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.073 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -42.45 88.19 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.568 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.39 -43.9 96.23 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.09 -39.29 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 p -73.83 118.85 17.27 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.65 -51.83 0.47 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.523 0 O-C-N 119.772 -2.017 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.91 -42.2 97.48 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -60.76 -36.33 78.67 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -68.97 -39.31 79.53 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.742 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.98 -43.1 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.119 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -67.13 -37.47 83.89 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -63.82 -39.51 94.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.65 -35.43 91.92 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.29 -44.64 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.78 -42.86 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.004 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.06 -44.32 89.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.475 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -43.78 93.74 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.82 88.86 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -34.48 78.29 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.62 -44.06 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.708 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -58.1 -39.82 79.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -70.0 -39.33 75.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.38 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.03 -45.56 84.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.95 -38.97 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 0.0 111.63 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 m -73.03 121.54 20.3 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.65 -164.25 31.24 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 119.917 -1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.01 -43.65 98.4 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.737 0.303 . . . . 0.0 111.735 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -58.72 -39.99 82.42 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.96 -39.99 87.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.033 0.444 . . . . 0.0 110.715 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.31 -43.09 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.17 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.14 -44.42 92.23 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.042 0.449 . . . . 0.0 111.135 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -65.48 -37.92 88.24 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -34.07 88.95 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.0 -43.91 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.077 0.465 . . . . 0.0 110.321 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.42 -42.92 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.572 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 67.9 m-70 -67.29 -40.68 86.11 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.206 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.72 -47.38 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.325 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.88 -40.76 97.49 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 25.5 ttpt -61.73 -42.03 98.43 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.843 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -65.07 -44.42 89.02 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.82 -44.8 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.831 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -63.98 -37.24 86.68 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.93 -43.27 88.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.09 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.31 -42.88 92.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 111.484 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.75 -44.95 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.319 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.53 123.94 24.92 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.43 -110.04 3.29 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.51 0 O-C-N 119.708 -2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.982 0.42 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.02 -42.15 97.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.02 -34.05 88.87 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.97 -43.43 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.029 0.443 . . . . 0.0 110.28 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.21 -41.76 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.138 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.476 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 69.7 m-70 -68.41 -38.55 81.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.848 0.356 . . . . 0.0 110.998 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 44.9 t -62.42 -47.84 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.97 93.71 Favored Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.0 ttpt -61.13 -41.24 96.35 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.951 0.405 . . . . 0.0 110.724 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -63.72 -44.71 92.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 16' ' ' ILE . 31.8 mm -64.27 -45.08 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -60.98 -39.51 89.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -66.81 -43.46 83.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.89 -43.15 93.85 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.464 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.88 -45.31 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.264 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m -73.71 122.5 22.45 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.86 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.862 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.521 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 120.533 0.206 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.66 -42.1 95.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.234 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.41 -34.1 89.04 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.36 -44.4 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.448 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -66.76 -42.29 86.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.905 0.383 . . . . 0.0 110.556 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.92 -47.25 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.2 97.81 Favored Glycine 0 N--CA 1.472 1.054 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -62.48 -41.35 98.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.662 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 m -64.68 -42.98 94.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.161 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.74 -45.04 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.658 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -64.1 -39.14 93.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.241 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -43.75 91.65 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -43.45 95.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.48 -46.78 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.373 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.6 p -74.1 118.45 17.07 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.905 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.791 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 120.917 0.389 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -60.15 -43.92 95.4 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.091 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 -34.03 88.83 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.95 -44.09 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 121.167 0.508 . . . . 0.0 110.053 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.78 -42.75 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.009 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.65 -44.59 93.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.94 0.4 . . . . 0.0 110.584 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -45.67 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.92 95.76 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.1 -40.44 97.65 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.82 0.343 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -40.11 83.15 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.362 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.04 -45.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 120.708 0.289 . . . . 0.0 110.457 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -63.55 -38.62 91.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.82 92.1 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.775 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.36 -43.14 91.76 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.944 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.92 -43.8 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -72.36 127.5 32.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.832 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.718 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.6 t80 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.968 0.413 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -41.3 97.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.983 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -35.11 91.58 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.22 -44.34 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.48 -42.6 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.316 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 13.1 m-70 -66.0 -43.53 87.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.015 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.85 -47.47 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.02 -33.4 87.14 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.5 ttpt -61.19 -38.84 87.99 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.684 0.278 . . . . 0.0 110.804 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' HIS . 55.7 p -68.31 -41.42 80.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.21 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.93 -44.8 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -64.69 -35.79 82.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.364 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -68.24 -42.73 79.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.85 -43.61 92.48 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.666 0.27 . . . . 0.0 111.622 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.24 -46.59 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -74.49 122.95 23.85 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.881 179.634 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.1 t80 . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -60.99 -42.45 98.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -63.7 -34.45 89.97 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.56 -44.17 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.091 0.472 . . . . 0.0 110.06 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.62 -41.95 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.215 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -61.68 -52.02 66.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 8' ' ' GLY . 33.4 m -63.13 -41.12 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.009 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -48.54 81.07 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 32.4 tptt -64.8 -35.78 82.21 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.753 0.311 . . . . 0.0 110.33 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -62.07 -42.57 99.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.095 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.01 -44.4 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.284 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -59.45 -42.44 91.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.084 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -43.76 86.23 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.588 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.67 -43.59 96.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.92 -44.57 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.68 122.84 22.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.893 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.631 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.51 -42.34 99.44 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.67 89.67 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.28 -44.31 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 120.951 0.405 . . . . 0.0 110.632 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.5 -39.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.519 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 21.3 m-70 -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.29 -48.43 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -29.41 74.51 Favored Glycine 0 N--CA 1.47 0.961 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 39.5 ttpt -58.82 -36.48 74.59 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -66.35 -44.29 83.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.72 -45.53 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -61.78 -41.1 97.3 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -66.55 -42.83 86.53 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.66 -45.75 88.71 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.875 0.369 . . . . 0.0 111.263 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.49 -44.76 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.5 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -73.59 120.75 19.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.487 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.75 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.3 -42.27 99.04 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.86 -34.71 90.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.64 -44.75 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.021 0.438 . . . . 0.0 110.332 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.82 -43.18 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' THR . 82.7 t60 -62.34 -48.25 80.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.764 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.91 -46.57 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.61 92.29 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.53 -37.11 84.83 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.642 0.258 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' HIS . 71.3 p -67.53 -38.48 84.29 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.96 -47.42 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -61.96 -39.88 93.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.391 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -66.4 -43.6 85.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.282 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.11 -44.12 89.78 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.795 0.331 . . . . 0.0 111.484 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.16 -44.62 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -73.12 122.49 21.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.059 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.473 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 120.941 0.401 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -60.57 -43.23 97.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.367 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.4 89.81 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.56 -44.12 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.075 0.464 . . . . 0.0 110.295 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.03 -42.2 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 37.0 m-70 -66.45 -42.65 87.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.559 0.218 . . . . 0.0 111.029 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.28 -46.18 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.471 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.01 86.09 Favored Glycine 0 N--CA 1.472 1.093 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 20.7 ttmt -59.69 -38.77 82.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.89 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.1 p -66.64 -41.47 88.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.08 -46.01 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.65 -40.88 93.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.073 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -42.45 88.19 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.568 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.39 -43.9 96.23 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.09 -39.29 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 p -73.83 118.85 17.27 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.773 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -63.82 -39.51 94.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.65 -35.43 91.92 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.29 -44.64 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.78 -42.86 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.004 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.06 -44.32 89.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.475 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -43.78 93.74 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.82 88.86 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -34.48 78.29 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.62 -44.06 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.708 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 21' ' ' THR . 41.2 m170 -58.1 -39.82 79.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.185 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -70.0 -39.33 75.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.38 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.03 -45.56 84.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.95 -38.97 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 0.0 111.63 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 13.4 m -73.03 121.54 20.3 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.786 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.811 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.042 0.449 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -65.48 -37.92 88.24 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -63.95 -34.07 88.95 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.0 -43.91 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.077 0.465 . . . . 0.0 110.321 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.42 -42.92 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.558 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 67.9 m-70 -67.29 -40.68 86.11 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.206 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.6 t -62.72 -47.38 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.325 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.88 -40.76 97.49 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 25.5 ttpt -61.73 -42.03 98.43 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.843 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -65.07 -44.42 89.02 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.82 -44.8 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.831 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -63.98 -37.24 86.68 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.93 -43.27 88.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.09 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.31 -42.88 92.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 111.484 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.75 -44.95 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.319 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.53 123.94 24.92 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.393 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -61.2 -45.78 93.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.93 -39.32 89.0 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -68.06 -42.59 80.26 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.767 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.63 -43.2 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.095 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.82 -39.39 83.95 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.982 0.42 . . . . 0.0 110.883 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.02 -42.15 97.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.02 -34.05 88.87 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.97 -43.43 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.029 0.443 . . . . 0.0 110.28 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.21 -41.76 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.138 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.476 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 69.7 m-70 -68.41 -38.55 81.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.848 0.356 . . . . 0.0 110.998 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 44.9 t -62.42 -47.84 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.97 93.71 Favored Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.0 ttpt -61.13 -41.24 96.35 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.951 0.405 . . . . 0.0 110.724 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -63.72 -44.71 92.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 16' ' ' ILE . 31.8 mm -64.27 -45.08 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -60.98 -39.51 89.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -66.81 -43.46 83.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.89 -43.15 93.85 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.464 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.88 -45.31 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.264 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m -73.71 122.5 22.45 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.86 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.13 -101.96 2.21 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 119.768 -2.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -63.46 -42.66 98.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.718 0.294 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -61.07 -37.49 82.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -67.34 -40.49 85.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.464 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.53 -43.57 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.4 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -68.36 -38.59 81.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.533 0.206 . . . . 0.0 111.436 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.66 -42.1 95.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.234 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.41 -34.1 89.04 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.36 -44.4 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.448 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -66.76 -42.29 86.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.905 0.383 . . . . 0.0 110.556 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.92 -47.25 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.2 97.81 Favored Glycine 0 N--CA 1.472 1.054 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -62.48 -41.35 98.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.662 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 m -64.68 -42.98 94.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.161 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.74 -45.04 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.658 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -64.1 -39.14 93.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.241 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -43.75 91.65 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -43.45 95.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.48 -46.78 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.373 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.6 p -74.1 118.45 17.07 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.905 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.5 -58.12 0.68 Allowed Glycine 0 N--CA 1.468 0.791 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.492 0 O-C-N 119.802 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -63.94 -44.21 93.52 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.633 ' CE1' HH21 ' A' ' 7' ' ' ARG . 44.4 t-80 -60.99 -37.47 82.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.842 0.353 . . . . 0.0 110.464 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -67.2 -44.11 80.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.977 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.54 -43.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.999 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -68.86 -37.68 79.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.917 0.389 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.633 HH21 ' CE1' ' A' ' 3' ' ' HIS . 25.3 ttm180 -60.15 -43.92 95.4 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.091 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 -34.03 88.83 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.95 -44.09 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 121.167 0.508 . . . . 0.0 110.053 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.78 -42.75 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.009 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.65 -44.59 93.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.94 0.4 . . . . 0.0 110.584 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -45.67 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.92 95.76 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.1 -40.44 97.65 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.82 0.343 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -40.11 83.15 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.362 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.04 -45.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 120.708 0.289 . . . . 0.0 110.457 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -63.55 -38.62 91.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.82 92.1 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.775 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.36 -43.14 91.76 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.944 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.92 -43.8 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -72.36 127.5 32.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.832 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.77 -178.41 48.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 119.836 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -61.46 -45.67 93.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.64 0.257 . . . . 0.0 111.247 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -61.01 -39.18 88.75 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.37 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -68.06 -43.19 79.18 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.37 -43.26 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -66.11 -41.35 90.71 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.968 0.413 . . . . 0.0 111.023 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -41.3 97.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.983 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -35.11 91.58 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.22 -44.34 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.48 -42.6 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.316 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 13.1 m-70 -66.0 -43.53 87.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.015 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.85 -47.47 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.02 -33.4 87.14 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.5 ttpt -61.19 -38.84 87.99 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.684 0.278 . . . . 0.0 110.804 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' HIS . 55.7 p -68.31 -41.42 80.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.21 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.93 -44.8 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -64.69 -35.79 82.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.364 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -68.24 -42.73 79.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.85 -43.61 92.48 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.666 0.27 . . . . 0.0 111.622 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.24 -46.59 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -74.49 122.95 23.85 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.75 -76.69 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.881 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 119.667 -2.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -62.18 -45.71 92.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -61.32 -39.21 89.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -67.57 -42.87 81.9 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.525 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 mm -65.11 -43.29 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -65.69 -40.83 92.72 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.697 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -60.99 -42.45 98.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -63.7 -34.45 89.97 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.56 -44.17 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.091 0.472 . . . . 0.0 110.06 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.62 -41.95 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.215 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -61.68 -52.02 66.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 8' ' ' GLY . 33.4 m -63.13 -41.12 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.009 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -48.54 81.07 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 32.4 tptt -64.8 -35.78 82.21 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.753 0.311 . . . . 0.0 110.33 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -62.07 -42.57 99.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.095 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.01 -44.4 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.284 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -59.45 -42.44 91.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.084 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -43.76 86.23 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.588 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.67 -43.59 96.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.92 -44.57 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.68 122.84 22.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.69 -77.23 1.27 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 119.781 -2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.84 -39.86 94.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -60.27 -35.75 76.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.708 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -71.35 -38.99 71.59 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.27 -44.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.218 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.96 -35.01 74.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.198 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.51 -42.34 99.44 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.67 89.67 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.28 -44.31 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 120.951 0.405 . . . . 0.0 110.632 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.5 -39.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.519 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 21.3 m-70 -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.29 -48.43 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -29.41 74.51 Favored Glycine 0 N--CA 1.47 0.961 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 39.5 ttpt -58.82 -36.48 74.59 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -66.35 -44.29 83.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.72 -45.53 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -61.78 -41.1 97.3 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -66.55 -42.83 86.53 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.66 -45.75 88.71 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.875 0.369 . . . . 0.0 111.263 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.49 -44.76 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.5 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -73.59 120.75 19.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.487 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.23 -129.49 6.28 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.504 0 O-C-N 119.818 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -62.44 -44.7 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.669 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -67.88 -42.49 81.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.837 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.68 -43.55 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.705 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -68.17 -37.69 81.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 111.116 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.3 -42.27 99.04 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.86 -34.71 90.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.64 -44.75 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.021 0.438 . . . . 0.0 110.332 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.82 -43.18 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' THR . 82.7 t60 -62.34 -48.25 80.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.764 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.91 -46.57 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.61 92.29 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.53 -37.11 84.83 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.642 0.258 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' HIS . 71.3 p -67.53 -38.48 84.29 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.96 -47.42 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -61.96 -39.88 93.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.391 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -66.4 -43.6 85.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.282 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.11 -44.12 89.78 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.795 0.331 . . . . 0.0 111.484 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.16 -44.62 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -73.12 122.49 21.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.059 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.38 -77.6 0.15 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.491 0 O-C-N 119.651 -2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.67 -39.17 91.05 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.1 -40.91 86.79 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -70.14 -39.86 75.14 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.839 0.352 . . . . 0.0 110.813 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.19 -44.09 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -69.71 -36.81 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.941 0.401 . . . . 0.0 110.483 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -60.57 -43.23 97.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.367 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.4 89.81 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.56 -44.12 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.075 0.464 . . . . 0.0 110.295 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.03 -42.2 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 37.0 m-70 -66.45 -42.65 87.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.559 0.218 . . . . 0.0 111.029 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.28 -46.18 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.471 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.01 86.09 Favored Glycine 0 N--CA 1.472 1.093 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 20.7 ttmt -59.69 -38.77 82.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.89 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.1 p -66.64 -41.47 88.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.08 -46.01 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.65 -40.88 93.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.073 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -42.45 88.19 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.568 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.39 -43.9 96.23 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.09 -39.29 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 p -73.83 118.85 17.27 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.65 -51.83 0.47 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.523 0 O-C-N 119.772 -2.017 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.91 -42.2 97.48 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -60.76 -36.33 78.67 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -68.97 -39.31 79.53 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.742 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.98 -43.1 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.119 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -67.13 -37.47 83.89 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -63.82 -39.51 94.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.65 -35.43 91.92 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.29 -44.64 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.78 -42.86 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.004 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.06 -44.32 89.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.475 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -43.78 93.74 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.82 88.86 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -34.48 78.29 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.62 -44.06 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.708 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 21' ' ' THR . 41.2 m170 -58.1 -39.82 79.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.185 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -70.0 -39.33 75.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.38 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.03 -45.56 84.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.95 -38.97 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 0.0 111.63 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 13.4 m -73.03 121.54 20.3 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.65 -164.25 31.24 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 119.917 -1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.01 -43.65 98.4 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.737 0.303 . . . . 0.0 111.735 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -58.72 -39.99 82.42 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.96 -39.99 87.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.033 0.444 . . . . 0.0 110.715 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.31 -43.09 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.17 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.14 -44.42 92.23 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.042 0.449 . . . . 0.0 111.135 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -65.48 -37.92 88.24 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -63.95 -34.07 88.95 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.0 -43.91 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.077 0.465 . . . . 0.0 110.321 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.42 -42.92 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.558 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 67.9 m-70 -67.29 -40.68 86.11 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.206 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.6 t -62.72 -47.38 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.325 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.88 -40.76 97.49 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 25.5 ttpt -61.73 -42.03 98.43 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.843 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -65.07 -44.42 89.02 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.82 -44.8 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.831 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -63.98 -37.24 86.68 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.93 -43.27 88.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.09 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.31 -42.88 92.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 111.484 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.75 -44.95 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.319 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.53 123.94 24.92 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.43 -110.04 3.29 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.51 0 O-C-N 119.708 -2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.982 0.42 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.02 -42.15 97.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.02 -34.05 88.87 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.97 -43.43 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.029 0.443 . . . . 0.0 110.28 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.21 -41.76 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.138 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.476 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 69.7 m-70 -68.41 -38.55 81.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.848 0.356 . . . . 0.0 110.998 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 44.9 t -62.42 -47.84 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.97 93.71 Favored Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.0 ttpt -61.13 -41.24 96.35 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.951 0.405 . . . . 0.0 110.724 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -63.72 -44.71 92.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 16' ' ' ILE . 31.8 mm -64.27 -45.08 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -60.98 -39.51 89.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -66.81 -43.46 83.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.89 -43.15 93.85 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.464 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.88 -45.31 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.264 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m -73.71 122.5 22.45 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.86 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.862 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.521 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 120.533 0.206 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.66 -42.1 95.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.234 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.41 -34.1 89.04 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.36 -44.4 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.448 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -66.76 -42.29 86.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.905 0.383 . . . . 0.0 110.556 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.92 -47.25 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.2 97.81 Favored Glycine 0 N--CA 1.472 1.054 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -62.48 -41.35 98.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.662 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 m -64.68 -42.98 94.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.161 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.74 -45.04 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.658 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.1 -39.14 93.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.241 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -43.75 91.65 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -43.45 95.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.48 -46.78 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.373 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.6 p -74.1 118.45 17.07 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.905 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.791 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 120.917 0.389 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -60.15 -43.92 95.4 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.091 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 -34.03 88.83 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.95 -44.09 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 121.167 0.508 . . . . 0.0 110.053 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.78 -42.75 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.009 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.65 -44.59 93.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.94 0.4 . . . . 0.0 110.584 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -45.67 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.92 95.76 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.1 -40.44 97.65 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.82 0.343 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -40.11 83.15 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.362 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.04 -45.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 120.708 0.289 . . . . 0.0 110.457 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -63.55 -38.62 91.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.82 92.1 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.775 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.36 -43.14 91.76 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.944 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.92 -43.8 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -72.36 127.5 32.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.832 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.718 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.6 t80 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.968 0.413 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -41.3 97.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.983 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -35.11 91.58 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.22 -44.34 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.48 -42.6 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.316 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 13.1 m-70 -66.0 -43.53 87.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.015 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.85 -47.47 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.02 -33.4 87.14 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.5 ttpt -61.19 -38.84 87.99 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.684 0.278 . . . . 0.0 110.804 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' HIS . 55.7 p -68.31 -41.42 80.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.21 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.93 -44.8 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -64.69 -35.79 82.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.364 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -68.24 -42.73 79.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.85 -43.61 92.48 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.666 0.27 . . . . 0.0 111.622 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.24 -46.59 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -74.49 122.95 23.85 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.881 179.634 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.1 t80 . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -60.99 -42.45 98.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -63.7 -34.45 89.97 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.56 -44.17 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.091 0.472 . . . . 0.0 110.06 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.62 -41.95 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.215 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.68 -52.02 66.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 8' ' ' GLY . 33.4 m -63.13 -41.12 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.009 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -48.54 81.07 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 32.4 tptt -64.8 -35.78 82.21 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.753 0.311 . . . . 0.0 110.33 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -62.07 -42.57 99.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.095 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.01 -44.4 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.284 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -59.45 -42.44 91.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.084 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -43.76 86.23 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.588 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.67 -43.59 96.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.92 -44.57 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.68 122.84 22.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.893 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.631 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.51 -42.34 99.44 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.67 89.67 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.28 -44.31 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 120.951 0.405 . . . . 0.0 110.632 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.5 -39.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.519 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 21.3 m-70 -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.29 -48.43 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -29.41 74.51 Favored Glycine 0 N--CA 1.47 0.961 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 39.5 ttpt -58.82 -36.48 74.59 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -66.35 -44.29 83.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.72 -45.53 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -61.78 -41.1 97.3 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -66.55 -42.83 86.53 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.66 -45.75 88.71 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.875 0.369 . . . . 0.0 111.263 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.49 -44.76 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.5 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -73.59 120.75 19.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.487 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.75 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.3 -42.27 99.04 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.86 -34.71 90.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.64 -44.75 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.021 0.438 . . . . 0.0 110.332 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.82 -43.18 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' THR . 82.7 t60 -62.34 -48.25 80.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.764 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.91 -46.57 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.61 92.29 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.53 -37.11 84.83 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.642 0.258 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' HIS . 71.3 p -67.53 -38.48 84.29 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.96 -47.42 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -61.96 -39.88 93.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.391 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -66.4 -43.6 85.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.282 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.11 -44.12 89.78 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.795 0.331 . . . . 0.0 111.484 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.16 -44.62 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -73.12 122.49 21.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.059 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.473 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 120.941 0.401 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -60.57 -43.23 97.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.367 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.4 89.81 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.56 -44.12 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.075 0.464 . . . . 0.0 110.295 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.03 -42.2 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 37.0 m-70 -66.45 -42.65 87.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.559 0.218 . . . . 0.0 111.029 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.28 -46.18 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.471 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.01 86.09 Favored Glycine 0 N--CA 1.472 1.093 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 20.7 ttmt -59.69 -38.77 82.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.89 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.1 p -66.64 -41.47 88.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.08 -46.01 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.65 -40.88 93.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.073 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -42.45 88.19 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.568 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.39 -43.9 96.23 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.09 -39.29 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 p -73.83 118.85 17.27 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.773 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -63.82 -39.51 94.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.65 -35.43 91.92 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.29 -44.64 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.78 -42.86 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.004 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.06 -44.32 89.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.475 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -43.78 93.74 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.82 88.86 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -34.48 78.29 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.62 -44.06 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.708 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 21' ' ' THR . 41.2 m170 -58.1 -39.82 79.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.185 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -70.0 -39.33 75.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.38 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.03 -45.56 84.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.95 -38.97 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 0.0 111.63 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 13.4 m -73.03 121.54 20.3 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.786 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.811 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.042 0.449 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -65.48 -37.92 88.24 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -63.95 -34.07 88.95 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.0 -43.91 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.077 0.465 . . . . 0.0 110.321 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.42 -42.92 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.558 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 67.9 m-70 -67.29 -40.68 86.11 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.206 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.6 t -62.72 -47.38 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.325 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.88 -40.76 97.49 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 25.5 ttpt -61.73 -42.03 98.43 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.843 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -65.07 -44.42 89.02 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.82 -44.8 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.831 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -63.98 -37.24 86.68 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.93 -43.27 88.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.09 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.31 -42.88 92.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 111.484 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.75 -44.95 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.319 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.53 123.94 24.92 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.393 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -61.2 -45.78 93.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.93 -39.32 89.0 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -68.06 -42.59 80.26 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.767 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.63 -43.2 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.095 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -67.82 -39.39 83.95 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.982 0.42 . . . . 0.0 110.883 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.02 -42.15 97.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.02 -34.05 88.87 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.97 -43.43 96.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 121.029 0.443 . . . . 0.0 110.28 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.21 -41.76 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.138 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.476 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 69.7 m-70 -68.41 -38.55 81.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.848 0.356 . . . . 0.0 110.998 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 44.9 t -62.42 -47.84 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.97 93.71 Favored Glycine 0 N--CA 1.469 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.0 ttpt -61.13 -41.24 96.35 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.951 0.405 . . . . 0.0 110.724 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -63.72 -44.71 92.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 16' ' ' ILE . 31.8 mm -64.27 -45.08 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.456 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -60.98 -39.51 89.91 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -66.81 -43.46 83.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.89 -43.15 93.85 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.464 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.6 t -67.88 -45.31 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.264 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m -73.71 122.5 22.45 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.86 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.13 -101.96 2.21 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 119.768 -2.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -63.46 -42.66 98.61 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.718 0.294 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -61.07 -37.49 82.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -67.34 -40.49 85.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.464 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.53 -43.57 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.4 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -68.36 -38.59 81.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.533 0.206 . . . . 0.0 111.436 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.66 -42.1 95.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.234 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.41 -34.1 89.04 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.36 -44.4 94.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.448 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -66.76 -42.29 86.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.905 0.383 . . . . 0.0 110.556 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.92 -47.25 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -40.2 97.81 Favored Glycine 0 N--CA 1.472 1.054 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -62.48 -41.35 98.73 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.662 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 m -64.68 -42.98 94.98 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.161 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.74 -45.04 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.658 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -64.1 -39.14 93.4 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.241 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -43.75 91.65 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.933 0.396 . . . . 0.0 110.228 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -43.45 95.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.48 -46.78 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.373 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.6 p -74.1 118.45 17.07 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.905 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.5 -58.12 0.68 Allowed Glycine 0 N--CA 1.468 0.791 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.492 0 O-C-N 119.802 -1.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -63.94 -44.21 93.52 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.633 ' CE1' HH21 ' A' ' 7' ' ' ARG . 44.4 t-80 -60.99 -37.47 82.61 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.842 0.353 . . . . 0.0 110.464 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -67.2 -44.11 80.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.977 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.54 -43.97 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.999 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -68.86 -37.68 79.23 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.917 0.389 . . . . 0.0 111.174 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.633 HH21 ' CE1' ' A' ' 3' ' ' HIS . 25.3 ttm180 -60.15 -43.92 95.4 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.091 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.87 -34.03 88.83 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.95 -44.09 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 121.167 0.508 . . . . 0.0 110.053 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.78 -42.75 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.009 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -63.65 -44.59 93.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.94 0.4 . . . . 0.0 110.584 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -45.67 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.37 -42.92 95.76 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.1 -40.44 97.65 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.82 0.343 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -40.11 83.15 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.362 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.04 -45.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 120.708 0.289 . . . . 0.0 110.457 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -63.55 -38.62 91.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.82 92.1 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.775 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.36 -43.14 91.76 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.944 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.92 -43.8 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -72.36 127.5 32.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.832 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.77 -178.41 48.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 119.836 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -61.46 -45.67 93.31 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.64 0.257 . . . . 0.0 111.247 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -61.01 -39.18 88.75 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.37 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -68.06 -43.19 79.18 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.138 0.494 . . . . 0.0 110.73 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.37 -43.26 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -66.11 -41.35 90.71 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.968 0.413 . . . . 0.0 111.023 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -41.3 97.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.983 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -35.11 91.58 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.22 -44.34 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.48 -42.6 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.316 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 13.1 m-70 -66.0 -43.53 87.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.015 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.85 -47.47 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.708 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.02 -33.4 87.14 Favored Glycine 0 N--CA 1.47 0.943 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 26.5 ttpt -61.19 -38.84 87.99 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.684 0.278 . . . . 0.0 110.804 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' HIS . 55.7 p -68.31 -41.42 80.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.21 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.93 -44.8 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -64.69 -35.79 82.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.364 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -68.24 -42.73 79.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.918 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.85 -43.61 92.48 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.666 0.27 . . . . 0.0 111.622 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.24 -46.59 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -74.49 122.95 23.85 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.75 -76.69 0.48 Allowed Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.881 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 119.667 -2.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -62.18 -45.71 92.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -61.32 -39.21 89.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -67.57 -42.87 81.9 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.525 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 mm -65.11 -43.29 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -65.69 -40.83 92.72 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.697 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -60.99 -42.45 98.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -63.7 -34.45 89.97 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.56 -44.17 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 121.091 0.472 . . . . 0.0 110.06 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.62 -41.95 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.215 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.68 -52.02 66.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 8' ' ' GLY . 33.4 m -63.13 -41.12 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.009 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -48.54 81.07 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 32.4 tptt -64.8 -35.78 82.21 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.753 0.311 . . . . 0.0 110.33 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -62.07 -42.57 99.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.095 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.01 -44.4 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.284 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -59.45 -42.44 91.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.084 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -43.76 86.23 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.588 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.67 -43.59 96.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.92 -44.57 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.68 122.84 22.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.103 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.69 -77.23 1.27 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 119.781 -2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.84 -39.86 94.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -60.27 -35.75 76.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.708 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -71.35 -38.99 71.59 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mm -65.27 -44.16 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.218 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -69.96 -35.01 74.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.914 0.388 . . . . 0.0 111.198 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.51 -42.34 99.44 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.67 89.67 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.28 -44.31 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 120.951 0.405 . . . . 0.0 110.632 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.5 -39.21 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.519 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 21.3 m-70 -67.46 -41.69 84.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.29 -48.43 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.07 -29.41 74.51 Favored Glycine 0 N--CA 1.47 0.961 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 39.5 ttpt -58.82 -36.48 74.59 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -66.35 -44.29 83.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.72 -45.53 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -61.78 -41.1 97.3 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -66.55 -42.83 86.53 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.898 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.66 -45.75 88.71 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.875 0.369 . . . . 0.0 111.263 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.49 -44.76 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.5 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -73.59 120.75 19.62 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.487 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.23 -129.49 6.28 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.504 0 O-C-N 119.818 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -62.44 -44.7 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.873 0.368 . . . . 0.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.669 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -67.88 -42.49 81.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.837 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.68 -43.55 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.705 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -68.17 -37.69 81.25 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 111.116 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -63.3 -42.27 99.04 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.119 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.86 -34.71 90.67 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -65.64 -44.75 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.021 0.438 . . . . 0.0 110.332 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.82 -43.18 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.06 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' THR . 82.7 t60 -62.34 -48.25 80.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.764 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.91 -46.57 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.41 -35.61 92.29 Favored Glycine 0 N--CA 1.472 1.071 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.53 -37.11 84.83 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.642 0.258 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' HIS . 71.3 p -67.53 -38.48 84.29 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.715 0.293 . . . . 0.0 111.138 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.96 -47.42 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.386 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -61.96 -39.88 93.67 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.391 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -66.4 -43.6 85.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.282 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 tp -65.11 -44.12 89.78 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.795 0.331 . . . . 0.0 111.484 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.16 -44.62 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -73.12 122.49 21.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.059 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.38 -77.6 0.15 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.491 0 O-C-N 119.651 -2.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.67 -39.17 91.05 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.1 -40.91 86.79 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -70.14 -39.86 75.14 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.839 0.352 . . . . 0.0 110.813 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.19 -44.09 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.552 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -69.71 -36.81 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.941 0.401 . . . . 0.0 110.483 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -60.57 -43.23 97.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.367 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.4 89.81 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 mm -65.56 -44.12 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.075 0.464 . . . . 0.0 110.295 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.03 -42.2 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.547 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CE1' ' HZ1' ' A' ' 14' ' ' LYS . 37.0 m-70 -66.45 -42.65 87.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.559 0.218 . . . . 0.0 111.029 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.28 -46.18 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.471 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.72 -33.01 86.09 Favored Glycine 0 N--CA 1.472 1.093 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HZ1' ' CE1' ' A' ' 11' ' ' HIS . 20.7 ttmt -59.69 -38.77 82.45 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.89 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.1 p -66.64 -41.47 88.23 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.08 -46.01 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -60.65 -40.88 93.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.073 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -42.45 88.19 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.568 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.39 -43.9 96.23 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.09 -39.29 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 p -73.83 118.85 17.27 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.65 -51.83 0.47 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.523 0 O-C-N 119.772 -2.017 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -63.91 -42.2 97.48 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -60.76 -36.33 78.67 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -68.97 -39.31 79.53 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.742 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.98 -43.1 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.119 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -67.13 -37.47 83.89 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -63.82 -39.51 94.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.377 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.65 -35.43 91.92 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.29 -44.64 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.78 -42.86 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.004 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -65.06 -44.32 89.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.529 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.475 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -43.78 93.74 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.82 88.86 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.76 0.314 . . . . 0.0 111.195 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.74 -34.48 78.29 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.62 -44.06 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.708 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.404 ' O ' ' OG1' ' A' ' 21' ' ' THR . 41.2 m170 -58.1 -39.82 79.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.185 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -70.0 -39.33 75.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.38 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.03 -45.56 84.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.95 -38.97 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 0.0 111.63 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 13.4 m -73.03 121.54 20.3 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.65 -164.25 31.24 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 119.917 -1.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.01 -43.65 98.4 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.737 0.303 . . . . 0.0 111.735 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -58.72 -39.99 82.42 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.96 -39.99 87.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.033 0.444 . . . . 0.0 110.715 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.31 -43.09 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.17 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.14 -44.42 92.23 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.042 0.449 . . . . 0.0 111.135 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -65.48 -37.92 88.24 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -63.95 -34.07 88.95 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.0 -43.91 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.077 0.465 . . . . 0.0 110.321 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.42 -42.92 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.558 ' CE1' ' HZ3' ' A' ' 14' ' ' LYS . 67.9 m-70 -67.29 -40.68 86.11 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.206 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.6 t -62.72 -47.38 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.325 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.88 -40.76 97.49 Favored Glycine 0 N--CA 1.472 1.045 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HZ3' ' CE1' ' A' ' 11' ' ' HIS . 25.5 ttpt -61.73 -42.03 98.43 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.843 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -65.07 -44.42 89.02 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.82 -44.8 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.831 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -63.98 -37.24 86.68 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -65.93 -43.27 88.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.09 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -65.31 -42.88 92.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 111.484 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.75 -44.95 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.319 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 m -73.53 123.94 24.92 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.888 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.43 -110.04 3.29 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.51 0 O-C-N 119.708 -2.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_